SCHEMBL688433

SCHEMBL688433

Cc1cn(Cc2cc(C(F)(F)F)ccc2Cl)c(=O)c2[nH]c(=O)oc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 3/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90B1 P14625 1/20 0.43
LMNA P02545 2/20 0.42
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
NOTUM Q6P988 1/20 0.37
MAOB P27338 1/20 0.36
P2RX7 Q99572 1/20 0.35
RXFP1 Q9HBX9 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
DDR1 Q08345 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL687137 0.86 ADORA2B (0.38) LMNAADORA2BP2RX7ALDH1A1TP53
SCHEMBL686765 0.82 PTGER3 (0.38) LMNAMAOBP2RX7KDM4EALDH1A1
SCHEMBL687901 0.81 MAPK1 (0.44) LMNAP2RX7KDM4EALDH1A1MAPT
SCHEMBL687827 0.81 TRAP1 (0.44) TRAP1HSP90AA1HSP90B1LMNAADORA3
SCHEMBL687412 0.80 GAA (0.37) LMNAP2RX7KDM4EALDH1A1CYP1A2
SCHEMBL688398 0.79 KDM4E (0.35) LMNAP2RX7KDM4EALDH1A1
SCHEMBL687951 0.79 MEN1 (0.44) LMNAP2RX7KDM4EALDH1A1CYP1A2
SCHEMBL687864 0.78 GAA (0.38) LMNAMAOBKDM4EALDH1A1TP53
SCHEMBL687558 0.78 HSP90AA1 (0.39) TRAP1HSP90AA1HSP90B1LMNACYP1A2
SCHEMBL686912 0.77 ALPL (0.44) LMNAKDM4EALDH1A1

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

“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.