SCHEMBL687901

SCHEMBL687901

Cc1cn(Cc2ccccc2Cl)c(=O)c2[nH]c(=O)oc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
BRD4 O60885 1/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 3/20 0.42
PTGER3 P43115 5/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP2 O95551 1/20 0.41
NSD2 O96028 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SLC22A12 Q96S37 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
CNR2 P34972 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
P2RX7 Q99572 1/20 0.38

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
SCHEMBL686662 0.89 PTGER3 (0.41) MAPK1BRD4KMT2AALDH1A1MEN1
SCHEMBL687630 0.86 PKM (0.42) ALDH1A1KDM4EGAAMAPTSLC22A12
SCHEMBL687338 0.86 KMT2A (0.43) MAPK1BRD4KMT2AALDH1A1MEN1
SCHEMBL687494 0.86 ALDH1A1 (0.39) MAPK1BRD4KMT2AALDH1A1MEN1
SCHEMBL687951 0.85 MEN1 (0.44) MAPK1KMT2AALDH1A1MEN1PTGER3
SCHEMBL687652 0.84 PKM (0.43) ALDH1A1KDM4EGAAMAPTSLC22A12
SCHEMBL686709 0.84 ALDH1A1 (0.38) BRD4KMT2AALDH1A1MEN1PTGER3
SCHEMBL687137 0.83 ADORA2B (0.38) MAPK1KMT2AALDH1A1MEN1PTGER3
SCHEMBL687777 0.83 ALDH1A1 (0.38) BRD4KMT2AALDH1A1MEN1PTGER3
SCHEMBL686829 0.82 MEN1 (0.39) MAPK1BRD4KMT2AALDH1A1MEN1

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 11 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
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-7812038-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-10-12 US 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 MAPK1 817/4885BRD4 2449/4885KMT2A 3959/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 MAPK1 521/4885BRD4 2568/4885KMT2A 3998/4885

“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.