SCHEMBL1797443

SCHEMBL1797443

O=C(O)NC(Cc1cc(Cl)c2c(c1)OCO2)C(=O)c1nccs1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 2/20 0.38
F11 P03951 2/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
MAPK8 P45983 1/20 0.36
GRM5 P41594 3/20 0.35
POLB P06746 1/20 0.35
CASP6 P55212 1/20 0.35
F2 P00734 5/20 0.34
F10 P00742 4/20 0.34
FAAH O00519 1/20 0.33
ITGA4 P13612 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PRSS1 P07477 1/20 0.33

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
SCHEMBL1799693 0.86 CTSK (0.36) CMA1F11MMP2MMP3MMP7
SCHEMBL1799689 0.86 CTSK (0.36) CMA1F11MMP2MMP3MMP7
SCHEMBL1794725 0.80 MAPK8 (0.35) MAPK8POLBCASP6FAAHNPC1
SCHEMBL2768616 0.79 MAPK8 (0.33) MAPK8POLBCASP6
SCHEMBL2768617 0.77 GRM5 (0.39) GRM5POLBCASP6
SCHEMBL1801475 0.73 CNR2 (0.34) MAPK8FAAHNPC1RAB9A
SCHEMBL1798770 0.69 EDNRA (0.32) MAPK8
SCHEMBL5126789 0.68 CTSK (0.36) NPC1RAB9ARXFP1
SCHEMBL1798771 0.66 CNR2 (0.36) GRM5POLBNPC1RAB9ARXFP1
SCHEMBL1799870 0.65 NPC1 (0.31) NPC1RAB9A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8552181-B2 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2013-10-08 US disclosed
US-20120220583-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2012-08-30 US disclosed
US-8163909-B2 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2012-04-24 US disclosed
US-7951838-B2 Substituted spirocyclic chromanamine compounds as Beta-Secretase modulators and methods of use AMGEN INC. (US) 2011-05-31 US disclosed
US-20100317668-A1 SUBSTITUTED PYRANO [2,3-B] PYRIDINAMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-12-16 US disclosed
US-20090275602-A1 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2009-11-05 US disclosed
WO-2009064418-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2009-05-22 WO 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 (3 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-20090275602-A1 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use BACE1, BACE2, APP CMA1 431/4885F11 1012/4885MMP2 324/4885
US-20100317668-A1 SUBSTITUTED PYRANO [2,3-B] PYRIDINAMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, APP, BACE2 CMA1 677/4885F11 909/4885MMP2 1059/4885
US-20120220583-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP CMA1 575/4885F11 1394/4885MMP2 269/4885

“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.