SCHEMBL687668

SCHEMBL687668

O=c1[nH]c2c(=O)n(Cc3cc(F)ccc3Cl)ccc2o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 4/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 3/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
SLC5A1 P13866 1/20 0.37
SLC5A2 P31639 1/20 0.37
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
ADORA2B P29275 1/20 0.36
THRB P10828 1/20 0.35
IDO1 P14902 1/20 0.33
KMO O15229 1/20 0.33
KDM4E B2RXH2 1/20 0.32
DBH P09172 1/20 0.32
CYP1A2 P05177 1/20 0.31

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
SCHEMBL687387 0.88 MAPT (0.37) ALDH1A1SMN1; SMN2HTTL3MBTL1LMNA
SCHEMBL688370 0.85 MAPK14 (0.39) ALDH1A1SMN1; SMN2HTTL3MBTL1LMNA
SCHEMBL687827 0.85 TRAP1 (0.44) ALDH1A1SMN1; SMN2LMNAMAPTSLC5A1
SCHEMBL688205 0.83 PTGER3 (0.39) PTGER3ALDH1A1SMN1; SMN2L3MBTL1LMNA
SCHEMBL687351 0.83 SLC5A1 (0.34) SMN1; SMN2HTTSLC5A1SLC5A2KMO
SCHEMBL687519 0.83 ALDH1A1 (0.45) PTGER3ALDH1A1SMN1; SMN2L3MBTL1LMNA
SCHEMBL687659 0.82 MAPT (0.50) ALDH1A1SMN1; SMN2L3MBTL1LMNAMAPT
SCHEMBL687661 0.82 PTGS2 (0.36) ALDH1A1LMNAMAPTSLC5A1SLC5A2
SCHEMBL688177 0.81 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2HTTLMNAMAPT
SCHEMBL687137 0.79 ADORA2B (0.38) PTGER3ALDH1A1SMN1; SMN2HTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. 2004-04-01 US claimed
EP-1203766-A2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-05-08 EP claimed
EP-1203766-B1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC (US) 2012-02-29 EP disclosed
US-7812038-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
US-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors BIEDIGER RONALD J 2006-12-07 US disclosed
US-6972296-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. (US) 2005-12-06 US disclosed
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. 2004-04-01 US disclosed
EP-1203766-A2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-05-08 EP 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-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, ITGA1 PTGER3 2942/4885ALDH1A1 53/4885SMN1; SMN2 2958/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 PTGER3 2649/4885ALDH1A1 57/4885SMN1; SMN2 2960/4885

“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.