SCHEMBL686853

SCHEMBL686853

CS(=O)(=O)c1ccccc1Cn1ccc2oc(=O)[nH]c2c1=O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.35
SLC6A2 P23975 1/20 0.35
CNR2 P34972 3/20 0.34
P2RX7 Q99572 1/20 0.34
HSD17B13 Q7Z5P4 2/20 0.33
HSD11B1 P28845 1/20 0.33
PPARG P37231 1/20 0.32
EPHX2 P34913 1/20 0.32
POLB P06746 1/20 0.32
NR3C1 P04150 1/20 0.32
MAPK1 P28482 1/20 0.32
OGT O15294 1/20 0.31
THRB P10828 1/20 0.31
GRM5 P41594 1/20 0.30
DDR1 Q08345 2/20 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
SCHEMBL688034 0.87 PTGDR2 (0.35) MCL1EPHX2POLB
SCHEMBL687826 0.83 POLB (0.49) MCL1POLBMAPK1THRB
SCHEMBL687519 0.80 ALDH1A1 (0.45) MAPK1
SCHEMBL686785 0.80 HDAC3 (0.41) MCL1POLBOGTGRM5
SCHEMBL688408 0.80 THRB (0.47) MCL1POLBTHRB
SCHEMBL687698 0.80 LMNA (0.51) CNR2
SCHEMBL687397 0.80 MCL1 (0.36) MCL1P2RX7EPHX2POLBMAPK1
SCHEMBL687661 0.77 PTGS2 (0.36) POLBDDR1
SCHEMBL687704 0.77 ADORA2A (0.38) MCL1PPARGEPHX2POLBMAPK1
SCHEMBL688176 0.77 CYP19A1 (0.42) MCL1MAPK1

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 MCL1 1457/4885SLC6A2 3064/4885CNR2 2011/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 MCL1 971/4885SLC6A2 2963/4885CNR2 1897/4885

“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.