SCHEMBL687972

SCHEMBL687972

Cc1cn(Cc2c(Cl)cccc2OCc2ccccc2)c(=O)c2[nH]c(=O)oc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.42
P2RX7 Q99572 1/20 0.40
HPGD P15428 3/20 0.39
ADORA3 P0DMS8 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EDNRA P25101 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
FABP3 P05413 1/20 0.35
FABP4 P15090 1/20 0.35
FABP5 Q01469 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
NPC1 O15118 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
SCHEMBL687662 0.88 KDM4E (0.39) P2RX7HPGDLMNAMAPTTDP1
SCHEMBL30155068 0.88 KDM4E (0.39) P2RX7HPGDLMNAMAPTTDP1
SCHEMBL687549 0.86 ALDH1A1 (0.37) HPGDLMNAMAPK1L3MBTL1MEN1
SCHEMBL686790 0.86 LMNA (0.42) P2RX7HPGDLMNAMEN1KMT2A
SCHEMBL687181 0.85 PKM (0.34) HPGDLMNAMEN1KMT2AALDH1A1
SCHEMBL30155021 0.85 PKM (0.37) P2RX7HPGDLMNAMAPTMEN1
SCHEMBL687594 0.85 P2RX7 (0.38) P2RX7HPGDLMNAMEN1KMT2A
SCHEMBL687630 0.84 PKM (0.42) P2RX7HPGDMAPTSMN1; SMN2ALDH1A1
SCHEMBL687609 0.84 P2RX7 (0.36) P2RX7HPGDLMNAMEN1KMT2A
SCHEMBL687652 0.82 PKM (0.43) P2RX7HPGDMAPTSMN1; SMN2ALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPK14 2704/4885P2RX7 1731/4885HPGD 1322/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 MAPK14 2275/4885P2RX7 2582/4885HPGD 1063/4885

“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.