SCHEMBL1743797

SCHEMBL1743797

O=C(O)NC(CO)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.54
HTR2A P28223 3/20 0.50
HTR2B P41595 3/20 0.50
HTR2C P28335 2/20 0.50
AVPR2 P30518 1/20 0.49
AVPR1A P37288 1/20 0.49
EGFR P00533 1/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ADRA2C P18825 2/20 0.48
SLC6A4 P31645 2/20 0.48
ADRA1A P35348 2/20 0.48
DRD3 P35462 2/20 0.48
SIGMAR1 Q99720 1/20 0.48
LMNA P02545 1/20 0.48
OPRK1 P41145 1/20 0.48
CYP3A4 P08684 5/20 0.47
CYP1A2 P05177 3/20 0.47
CYP2D6 P10635 3/20 0.47

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
SCHEMBL3957288 1.00 PIN1 (0.54) PIN1HTR2AHTR2BHTR2CAVPR2
SCHEMBL1519784 0.82 EGFR (0.47) EGFRKMT2ALMNACYP3A4PPARG
SCHEMBL2548016 0.82 ATM (0.51) PIN1HTR2AHTR2BHTR2CAVPR2
SCHEMBL2548015 0.82 ATM (0.51) PIN1HTR2AHTR2BHTR2CAVPR2
SCHEMBL4901923 0.82 ATM (0.51) PIN1HTR2AHTR2BHTR2CAVPR2
SCHEMBL2546712 0.80 HTR2A (0.49) PIN1HTR2AHTR2BHTR2CMAPT
SCHEMBL3959317 0.78 MAPK1 (0.68) PIN1EGFRMAPTMEN1KMT2A
SCHEMBL3897966 0.78 MAPK1 (0.68) PIN1EGFRMAPTMEN1KMT2A
SCHEMBL2973301 0.78 MAPK1 (0.68) PIN1EGFRMAPTMEN1KMT2A
SCHEMBL14860568 0.78 MAPK1 (0.49) PIN1EGFRKMT2ACYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9180120-B2 Substituted N-phenethyltriazoloneacetamides and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-10 US disclosed
US-20130225646-A1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-29 US disclosed
EP-2387570-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE Amgen, Inc (US) 2011-11-23 EP disclosed
US-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2011-10-27 US disclosed
WO-2010083246-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-07-22 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 (2 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-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE TFEB, PCK2, JAK2 PIN1 1597/4885HTR2A 3434/4885HTR2B 2402/4885
US-20130225646-A1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF TNNT2, TNNI3, PNMT PIN1 3544/4885HTR2A 829/4885HTR2B 1414/4885

“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.