SCHEMBL686912

SCHEMBL686912

Cc1cn(Cc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)c(=O)c2[nH]c(=O)oc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.44
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 4/20 0.42
VCAM1 P19320 1/20 0.40
TSHR P16473 6/20 0.40
MCOLN3 Q8TDD5 2/20 0.39
NPBWR1 P48145 1/20 0.39
MCHR1 Q99705 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PKM P14618 2/20 0.38
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL687568 0.99 ALPL (0.46) ALPLKDM4EPOLBALDH1A1VCAM1
SCHEMBL687137 0.79 ADORA2B (0.38) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL686765 0.78 PTGER3 (0.38) KDM4EPOLBALDH1A1NPBWR1MCHR1
SCHEMBL688433 0.77 TRAP1 (0.43) KDM4EALDH1A1LMNA
SCHEMBL687901 0.77 MAPK1 (0.44) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL687412 0.76 GAA (0.37) KDM4EPOLBALDH1A1TSHRNPBWR1
SCHEMBL688398 0.75 KDM4E (0.35) KDM4EALDH1A1NPBWR1MEN1KMT2A
SCHEMBL687951 0.75 MEN1 (0.44) KDM4EALDH1A1TSHRMEN1KMT2A
SCHEMBL687864 0.74 GAA (0.38) KDM4EPOLBALDH1A1TSHRNPBWR1
SCHEMBL688445 0.74 HPGD (0.36) MEN1KMT2APKM

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 ALPL 4294/4885KDM4E 2631/4885POLB 4218/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 ALPL 4489/4885KDM4E 3292/4885POLB 4518/4885

“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.