SCHEMBL687353

SCHEMBL687353

CCCc1cn(Cc2ccc(Cl)cc2)c(=O)c2[nH]c(=O)oc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC5 Q9UL62 2/20 0.39
DAO P14920 1/20 0.36
MAPT P10636 4/20 0.35
THRB P10828 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DRD4 P21917 1/20 0.34
VEGFA P15692 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
POLB P06746 2/20 0.34
TP53 P04637 1/20 0.34
HTR6 P50406 1/20 0.34
BRD4 O60885 1/20 0.34
ALOX5 P09917 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 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
SCHEMBL687494 0.84 ALDH1A1 (0.39) MAPTTHRBADORA2AADORA2BADORA1
SCHEMBL687150 0.84 TRPC5 (0.43) TRPC5MAPTTHRBMEN1KMT2A
SCHEMBL687391 0.78 LMNA (0.41) MAPTCYP3A4CYP2C19LMNAHPGD
SCHEMBL686709 0.77 ALDH1A1 (0.38) MAPTTHRBADORA2AADORA2BADORA1
SCHEMBL687081 0.77 ALDH1A1 (0.34) DAOMAPTADORA2AADORA1MEN1
SCHEMBL687777 0.77 ALDH1A1 (0.38) MAPTTHRBADORA2AADORA2BADORA1
SCHEMBL686662 0.75 PTGER3 (0.41) MAPTTHRBADORA2AADORA2BADORA1
SCHEMBL687818 0.75 TP53 (0.47) MAPTPOLBTP53HPGD
SCHEMBL687210 0.71 BRD4 (0.45) MAPTEGLN1POLBTP53BRD4
SCHEMBL687951 0.71 MEN1 (0.44) MEN1KMT2ACYP3A4CYP2C19LMNA

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 TRPC5 2939/4885DAO 1722/4885MAPT 2314/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 TRPC5 3105/4885DAO 1306/4885MAPT 2566/4885

“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.