SCHEMBL686896

SCHEMBL686896

Cc1ccc([C@H](CC(=O)O)NC(=O)Nc2c(O)c(C)cn(Cc3ccccc3Cl)c2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 9/20 0.44
CTSA P10619 6/20 0.42
CNR2 P34972 1/20 0.41
SLC22A12 Q96S37 1/20 0.39
P2RY14 Q15391 1/20 0.37

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
SCHEMBL29371834 1.00 PTGER3 (0.44) PTGER3CTSACNR2SLC22A12P2RY14
SCHEMBL688053 0.95 PTGER3 (0.43) PTGER3CTSACNR2SLC22A12
SCHEMBL688284 0.95 PTGER3 (0.43) PTGER3CTSACNR2SLC22A12
SCHEMBL687923 0.94 PTGER3 (0.41) PTGER3CTSACNR2SLC22A12
SCHEMBL686806 0.94 PTGER3 (0.45) PTGER3CTSACNR2P2RY14
SCHEMBL24868402 0.93 PTGER3 (0.44) PTGER3CNR2SLC22A12P2RY14
SCHEMBL688581 0.92 PTGER3 (0.44) PTGER3CNR2SLC22A12
SCHEMBL686663 0.92 PTGER3 (0.44) PTGER3CTSACNR2P2RY14
SCHEMBL686842 0.92 PTGER3 (0.45) PTGER3CTSACNR2SLC22A12
SCHEMBL686997 0.92 PTGER3 (0.39) PTGER3CTSACNR2SLC22A12

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1203766-B1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC (US) 2012-02-29 EP claimed
US-20070060608-A1 Combination products with carboxylic acid derivatives that inhibit the binding of integrins to their receptors and other therapeutic compounds ENCYSIVE PHARMACEUTICALS INC. (US) 2007-03-15 US claimed
US-6972296-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. (US) 2005-12-06 US claimed
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
US-20230033021-A1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH AN INTEGRIN INHIBITOR GLAS USA LLC 2023-02-02 US disclosed
US-20230009902-A1 TREATMENT OF A DISEASE OR CONDITION IN A TISSUE ORGINATING FROM THE ENDODERM GLAS USA LLC 2023-01-12 US disclosed
US-20210393811-A1 Imaging Agents and Methods of Use TEXAS HEART INSTITUTE 2021-12-23 US disclosed
US-20200323772-A1 TREATMENT OF INFLAMMATORY DISEASE USING INGESTIBLE DEVICE TO RELEASE IMMUNE MODULATOR BT BIDCO LLC 2020-10-15 US disclosed
WO-2020072784-A1 IMAGING AGENTS AND METHODS OF USE TEXAS HEART INSTITUTE (US) 2020-04-09 WO 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
WO-2010008719-A2 ORAL PHARMACEUTICAL FORMULATIONS OF VLA-4 ANTAGONISTS SCHERING CORPORATION (US) 2010-01-21 WO disclosed
WO-2010008719-A2 ORAL PHARMACEUTICAL FORMULATIONS OF VLA-4 ANTAGONISTS SCHERING CORPORATION (US) 2010-01-21 WO disclosed
US-20070060608-A1 Combination products with carboxylic acid derivatives that inhibit the binding of integrins to their receptors and other therapeutic compounds ENCYSIVE PHARMACEUTICALS INC. (US) 2007-03-15 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
JP-2003119181-A CARBOXYLIC ACID DERIVATIVE INHIBITING BINDING OF INTEGRIN TO RECEPTOR TEXAS BIOTECHNOLOGY CORP 2003-04-23 JP 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 (7 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 PTGER3 2942/4885CTSA 686/4885CNR2 2011/4885
US-20230033021-A1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH AN INTEGRIN INHIBITOR ITGAL, ITGB2, ITGB1 PTGER3 450/4885CTSA 3023/4885CNR2 3122/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 PTGER3 2649/4885CTSA 471/4885CNR2 1897/4885
US-20070060608-A1 Combination products with carboxylic acid derivatives that inhibit the binding of integrins to their receptors and other therapeutic compounds VCAM1, ITGB1, ICAM1 PTGER3 2584/4885CTSA 960/4885CNR2 3169/4885
US-20230009902-A1 TREATMENT OF A DISEASE OR CONDITION IN A TISSUE ORGINATING FROM THE ENDODERM ALPG, ALPP, FABP2 PTGER3 1810/4885CTSA 2145/4885CNR2 2151/4885
US-20210393811-A1 Imaging Agents and Methods of Use ITGA1, ITGA4, CD47 PTGER3 1491/4885CTSA 2666/4885CNR2 1575/4885
US-20200323772-A1 TREATMENT OF INFLAMMATORY DISEASE USING INGESTIBLE DEVICE TO RELEASE IMMUNE MODULATOR LRBA, CD47, FABP2 PTGER3 524/4885CTSA 894/4885CNR2 738/4885

“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.