SCHEMBL687137

SCHEMBL687137

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 1/20 0.38
PTGER3 P43115 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
P2RX7 Q99572 9/20 0.34
LMNA P02545 2/20 0.34
TP53 P04637 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 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
SCHEMBL687570 0.90 P2RX7 (0.35) ALDH1A1HTTSMN1; SMN2L3MBTL1P2RX7
SCHEMBL688433 0.86 TRAP1 (0.43) ADORA2BALDH1A1P2RX7LMNATP53
SCHEMBL686765 0.84 PTGER3 (0.38) PTGER3ALDH1A1SMN1; SMN2L3MBTL1P2RX7
SCHEMBL687901 0.83 MAPK1 (0.44) PTGER3ALDH1A1SMN1; SMN2L3MBTL1P2RX7
SCHEMBL687558 0.83 HSP90AA1 (0.39) PTGER3LMNAMEN1KMT2AMAPT
SCHEMBL687412 0.83 GAA (0.37) ALDH1A1HTTSMN1; SMN2L3MBTL1P2RX7
SCHEMBL688398 0.82 KDM4E (0.35) PTGER3ALDH1A1P2RX7LMNAMEN1
SCHEMBL687951 0.81 MEN1 (0.44) PTGER3ALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL687864 0.81 GAA (0.38) ALDH1A1HTTSMN1; SMN2L3MBTL1LMNA
SCHEMBL686912 0.79 ALPL (0.44) ALDH1A1HTTLMNAMEN1KMT2A

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 ADORA2B 1025/4885PTGER3 2942/4885ALDH1A1 53/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 ADORA2B 1421/4885PTGER3 2649/4885ALDH1A1 57/4885

“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.