SCHEMBL688034

SCHEMBL688034

CN(C)S(=O)(=O)c1ccccc1Cn1ccc2oc(=O)[nH]c2c1=O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 2/20 0.34
MCL1 Q07820 1/20 0.33
HTT P42858 1/20 0.32
EPHX2 P34913 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL686853 0.87 MCL1 (0.35) POLBMCL1EPHX2
SCHEMBL687826 0.80 POLB (0.49) ALDH1A1SMN1; SMN2POLBMCL1
SCHEMBL688243 0.80 POLB (0.35) PTGDR2ALDH1A1SMN1; SMN2POLBHTT
SCHEMBL686785 0.77 HDAC3 (0.41) ALDH1A1POLBMCL1
SCHEMBL687519 0.77 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2
SCHEMBL688408 0.77 THRB (0.47) ALDH1A1SMN1; SMN2POLBMCL1HTT
SCHEMBL687698 0.77 LMNA (0.51) ALDH1A1
SCHEMBL687397 0.77 MCL1 (0.36) ALDH1A1POLBMCL1EPHX2
SCHEMBL687704 0.74 ADORA2A (0.38) ALDH1A1POLBMCL1EPHX2TDP1
SCHEMBL688176 0.74 CYP19A1 (0.42) ALDH1A1SMN1; SMN2MCL1HTT

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 PTGDR2 1511/4885ALDH1A1 53/4885SMN1; SMN2 2958/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 PTGDR2 1375/4885ALDH1A1 57/4885SMN1; SMN2 2960/4885

“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.