SCHEMBL687558

SCHEMBL687558

Cc1cn(Cc2cc(Cl)ccc2F)c(=O)c2[nH]c(=O)oc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.39
HSP90B1 P14625 1/20 0.39
TRAP1 Q12931 1/20 0.39
MAPT P10636 1/20 0.37
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
LMNA P02545 2/20 0.33
MAPK1 P28482 1/20 0.33
CYP1A2 P05177 1/20 0.33
ADRA2A P08913 1/20 0.33
TSHR P16473 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
THPO P40225 1/20 0.33
BLM P54132 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
THRB P10828 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.32

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
SCHEMBL687951 0.87 MEN1 (0.44) LMNAMAPK1CYP1A2TSHRNPSR1
SCHEMBL687137 0.83 ADORA2B (0.38) MAPTLMNAMAPK1PTGER3MEN1
SCHEMBL687150 0.83 TRPC5 (0.43) MAPTTHRBMEN1KMT2A
SCHEMBL687570 0.81 P2RX7 (0.35) DRD2MAPK1CYP1A2TSHRMEN1
SCHEMBL687210 0.80 BRD4 (0.45) MAPTHTR1ADRD2MAPK1
SCHEMBL687901 0.80 MAPK1 (0.44) MAPTLMNAMAPK1THRBPTGER3
SCHEMBL687759 0.78 PKM (0.42) LMNAMEN1KMT2APKM
SCHEMBL688433 0.78 TRAP1 (0.43) HSP90AA1HSP90B1TRAP1MAPTLMNA
SCHEMBL686765 0.76 PTGER3 (0.38) MAPTLMNAMAPK1PTGER3PKM
SCHEMBL687818 0.76 TP53 (0.47) MAPT

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 HSP90AA1 1036/4885HSP90B1 2258/4885TRAP1 2075/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 HSP90AA1 902/4885HSP90B1 2340/4885TRAP1 1508/4885

“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.