SCHEMBL687066

SCHEMBL687066

[CH2]c1cc(S(C)(=O)=O)ccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
PTGS2 P35354 6/20 0.44
GLA P06280 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
G6PD P11413 1/20 0.40
IDE P14735 1/20 0.40
ENPP2 Q13822 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL3752334 0.83 LMNA (0.50) LMNAALDH1A1MAPTPTGS2G6PD
SCHEMBL755309 0.80 LMNA (0.60) LMNAALDH1A1MAPTPTGS2GLA
SCHEMBL12638410 0.77 PTGS2 (0.58) LMNAALDH1A1MAPTPTGS2GLA
SCHEMBL5733156 0.77 LMNA (0.56) LMNAALDH1A1MAPTPTGS2GLA
SCHEMBL12469250 0.75 PTGS2 (0.57) LMNAALDH1A1MAPTPTGS2
SCHEMBL1370002 0.75 LMNA (0.55) LMNAALDH1A1MAPTPTGS2GLA
SCHEMBL3591889 0.75 LMNA (0.55) LMNAALDH1A1MAPTPTGS2GLA
SCHEMBL1369913 0.75 LMNA (0.55) LMNAALDH1A1MAPTPTGS2GLA
SCHEMBL14497132 0.75 LMNA (0.55) LMNAALDH1A1MAPTPTGS2GLA
SCHEMBL10363279 0.73 LMNA (0.53) LMNAALDH1A1MAPTPTGS2GLA

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 13 patents. 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 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
EP-1567505-A4 COMBINATION PRODUCTS WITH CARBOXYLIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS AND OTHER THERAPEUTIC COMPOUNDS SCHERING CORP (US) 2009-07-01 EP 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
EP-1567505-A2 COMBINATION PRODUCTS WITH CARBOXYLIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS AND OTHER THERAPEUTIC COMPOUNDS ENCYSIVE PHARMACEUTICALS INC. (US) 2005-08-31 EP disclosed
WO-2004044046-A2 COMBINATION PRODUCTS WITH CARBOXYLIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS AND OTHER THERAPEUTIC COMPOUNDS ENCYSIVE PHARMACEUTICALS (US) 2004-05-27 WO disclosed
US-6723711-B2 VASCULAR CELL ADHESION MOLECULES AND FIBRONECTINS; ASTHMA, MULTIPLE SCLEROSIS, ARTHRITIS, INFLAMMATORY BOWEL DISEASE, CONTACT HYPERSENSITIVITY, CARDIAC ALLOGRAFT REJECTION AND DIABETES TREATMENT TEXAS BIOTECHNOLOGY CORPORATION 2004-04-20 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
US-20030199692-A1 Propanoic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. 2003-10-23 US disclosed
EP-1213288-A1 Propanoic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-06-12 EP 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 (4 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 LMNA 1820/4885ALDH1A1 53/4885MAPT 2314/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 LMNA 2248/4885ALDH1A1 57/4885MAPT 2566/4885
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 LMNA 1406/4885ALDH1A1 92/4885MAPT 2591/4885
US-20030199692-A1 Propanoic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 LMNA 1908/4885ALDH1A1 59/4885MAPT 3022/4885

“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.