SCHEMBL3172172

SCHEMBL3172172

O=C(O)C(NC(=O)C(F)(F)F)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.47
NAALAD2 Q9Y3Q0 1/20 0.46
LMNA P02545 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
MAPK1 P28482 1/20 0.45
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
MMP12 P39900 2/20 0.43
RBP4 P02753 2/20 0.43
MMP13 P45452 1/20 0.43
CYP2D6 P10635 1/20 0.42
SRC P12931 1/20 0.42
LTA4H P09960 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4531134 1.00 FPR2 (0.47) FPR2NAALAD2LMNACA1CA2
SCHEMBL3172158 1.00 FPR2 (0.47) FPR2NAALAD2LMNACA1CA2
SCHEMBL3173992 0.86 HDAC3 (0.41) NAALAD2HDAC4HDAC1HDAC7HDAC2
SCHEMBL2672092 0.86 HDAC3 (0.41) NAALAD2HDAC4HDAC1HDAC7HDAC2
SCHEMBL2672091 0.86 HDAC3 (0.41) NAALAD2HDAC4HDAC1HDAC7HDAC2
SCHEMBL10166988 0.86 TACR3 (0.43) LMNAMAPK1HDAC4HDAC1HDAC6
SCHEMBL7658688 0.84 KEAP1 (0.48) LMNAALDH1A1
SCHEMBL18247907 0.84 PDE2A (0.50) CYP2D6TACR1TACR3
SCHEMBL28270664 0.84 TDP1 (0.47) LMNAHDAC4HDAC1HDAC6ALDH1A1
SCHEMBL20266696 0.84 PDE2A (0.50) CYP2D6TACR1TACR3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180125848-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2018-05-10 US disclosed
US-7648988-B2 Substituted pteridines for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2010-01-19 US disclosed
US-20080153833-A1 Substituted pteridines for the treatment of inflammatory diseases DOLLINGER HORST 2008-06-26 US disclosed
US-20070072096-A1 Negative curable dye-containing composition, color filter, and method of manufacturing the same FUJI PHOTO FILM CO., LTD. 2007-03-29 US disclosed
US-20060116370-A1 Substituted pteridines for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-01 US disclosed
US-20050267150-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds THOMPSON RICHARD C 2005-12-01 US disclosed
US-20050192269-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds THOMPSON RICHARD C (US) 2005-09-01 US disclosed
US-20050192265-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds THOMPSON RICHARD C (US) 2005-09-01 US disclosed
US-6906056-B2 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting β-amyloid peptide release and/or its synthesis by use of such compounds ELAN PHARMACEUTICALS, INC. (US) 2005-06-14 US disclosed
US-20040106598-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting Beta-amyloid peptide release and/or its synthesis by use of such compounds THOMPSON RICHARD C (US) 2004-06-03 US disclosed
US-6569851-B1 Treating Alzheimer's disease ELAN PHARMACEUTIALS, INC. 2003-05-27 US disclosed
EP-0826667-B1 2 Aryl 5 (trifluoromethyl) 2 pyrroline compounds and process for the manufacture of insecticidal, 2 aryl 1 (alkoxymethyl) 4 halo 5 (trifluoromethyl) pyrroles BASF AG (DE) 2002-10-30 EP disclosed
EP-1089980-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 2001-04-11 EP disclosed
WO-1999067221-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1999-12-29 WO disclosed
EP-0826667-A1 2 Aryl 5 (trifluoromethyl) 2 pyrroline compounds and process for the manufacture of insecticidal, 2 aryl 1 (alkoxymethyl) 4 halo 5 (trifluoromethyl) pyrroles AMERICAN CYANAMID COMPANY (US) 1998-03-04 EP disclosed
US-5625082-A 2-aryl-5-(trifluoromethyl)-2-pyrroline compounds useful in the manufacture of insecticidal, nematocidal and acaricidal arylpyrroles AMERICAN HOME PRODUCTS CORPORATION (US) 1997-04-29 US disclosed
US-5380876-A 2-aryl-5(trifluoromethyl)-2-pyrroline compounds useful in the manufacture of insecticidal, nematocidal and acaricidal arylpyrroles AMERICAN CYANAMID COMPANY (US) 1995-01-10 US disclosed
EP-0492171-A1 2-Aryl-5-trifluoromethyl)-2-pyrroline compounds and process for the manufacture of insecticidal, 2-aryl-1-(alkoxymethyl)-4-halo-5-(trofluoromethyl) pyrroles AMERICAN CYANAMID COMPANY (US) 1992-07-01 EP disclosed
US-5118816-A 2-aryl-5-(trifluoromethyl)-2-pyrroline compounds useful in the manufacture of insecticidal, nematocidal and acaricidal arylpyrroles AMERICAN CYANAMID COMPANY (US) 1992-06-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050267150-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds BACE1, APP, BACE2 FPR2 807/4885NAALAD2 32/4885LMNA 1274/4885
US-20180125848-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 FPR2 4308/4885NAALAD2 1959/4885LMNA 4217/4885
US-20050192265-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds BACE1, APP, BACE2 FPR2 807/4885NAALAD2 32/4885LMNA 1274/4885
US-20060116370-A1 Substituted pteridines for the treatment of inflammatory diseases LTC4S, TLR5, LTB4R2 FPR2 121/4885NAALAD2 655/4885LMNA 2501/4885
US-20040106598-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting Beta-amyloid peptide release and/or its synthesis by use of such compounds BACE1, APP, BACE2 FPR2 821/4885NAALAD2 31/4885LMNA 1364/4885
US-20080153833-A1 Substituted pteridines for the treatment of inflammatory diseases LTC4S, TLR5, LTB4R2 FPR2 121/4885NAALAD2 655/4885LMNA 2501/4885
US-20050192269-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds BACE1, APP, BACE2 FPR2 807/4885NAALAD2 32/4885LMNA 1274/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.