SCHEMBL687777

SCHEMBL687777

CCCCCc1cn(Cc2ccccc2Cl)c(=O)c2[nH]c(=O)oc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
CNR2 P34972 3/20 0.36
CNR1 P21554 2/20 0.36
BRD4 O60885 1/20 0.36
PTGER3 P43115 4/20 0.35
HTT P42858 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
KDM4E B2RXH2 2/20 0.35
TDP2 O95551 1/20 0.35
NSD2 O96028 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL686709 0.97 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AADORA2AADORA2B
SCHEMBL687494 0.92 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AADORA2AADORA2B
SCHEMBL686662 0.89 PTGER3 (0.41) ALDH1A1MEN1KMT2AADORA2AADORA2B
SCHEMBL687901 0.83 MAPK1 (0.44) ALDH1A1MEN1KMT2ACNR2BRD4
SCHEMBL687338 0.79 KMT2A (0.43) ALDH1A1MEN1KMT2ABRD4PTGER3
SCHEMBL687353 0.77 TRPC5 (0.39) MEN1KMT2AADORA2AADORA2BADORA1
SCHEMBL686829 0.76 MEN1 (0.39) ALDH1A1MEN1KMT2ACNR2BRD4
SCHEMBL687081 0.75 ALDH1A1 (0.34) ALDH1A1MEN1KMT2AADORA2AADORA1
SCHEMBL687519 0.71 ALDH1A1 (0.45) ALDH1A1MEN1KMT2APTGER3KDM4E
SCHEMBL688221 0.71 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AKDM4ELMNA

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 ALDH1A1 53/4885MEN1 3955/4885KMT2A 3959/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 ALDH1A1 57/4885MEN1 3985/4885KMT2A 3998/4885

“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.