SCHEMBL4771536

SCHEMBL4771536

CC(C)Cc1cc(C#N)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.58
GABRB2 P47870 2/20 0.58
ANO1 Q5XXA6 2/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
AR P10275 2/20 0.37
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 3/20 0.36
USP2 O75604 2/20 0.36
ALOX15 P16050 3/20 0.35
ALOX12 P18054 3/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
ESR1 P03372 2/20 0.35
TP53 P04637 2/20 0.35

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
SCHEMBL14131231 0.83 GABRA1 (0.39) GABRA1GABRB2ANO1CA12CA2
SCHEMBL23998922 0.81 PSEN1 (0.37) GABRA1GABRB2CA12CA2CA3
SCHEMBL14498203 0.80 CYP2A6 (0.39) GABRA1GABRB2ARKDM4EMEN1
SCHEMBL12594178 0.79 AR (0.54) ANO1CA12CA2CA3CA6
SCHEMBL51567 0.79 HIF1A (0.48) ANO1CA12CA2CA3CA6
SCHEMBL21647261 0.79 SLC6A2 (0.38) GABRA1GABRB2KDM4EALDH1A1CYP3A4
SCHEMBL14485255 0.79 ABCC9 (0.35) GABRA1GABRB2MEN1ALDH1A1KMT2A
SCHEMBL14087100 0.79 MPO (0.40) GABRA1GABRB2GLASLC6A3ABCC9
SCHEMBL6214320 0.77 KLF10 (0.46) ANO1CA12CA2CA3CA6
SCHEMBL3027085 0.76 S1PR1 (0.37) GABRA1GABRB2ALDH1A1MAPK1GLA

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2002837-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-17 EP disclosed
EP-1094816-B1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2008-12-10 EP disclosed
EP-1741713-A2 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists Bristol-Myers Squibb Company (US) 2007-01-10 EP disclosed
EP-1237888-B1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2006-09-13 EP disclosed
US-6852745-B2 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-08 US disclosed
US-6835741-B2 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-12-28 US disclosed
US-20040127515-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists PHARMACOPEIA, LLC 2004-07-01 US disclosed
US-20040106833-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists PHARMACOPEIA, LLC 2004-06-03 US disclosed
US-6638937-B2 As antihypertensive agents; for therapy of disorders related to renal, glomerular and mesangial cell function; therapy of endotoxemia or endotoxin shock as well as hemorrhagic shock; useful in alleviation of pain associated cancer BRISTOL-MYERS SQUIBB CO. 2003-10-28 US disclosed
US-20020143024-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists PHARMACOPEIA, LLC 2002-10-03 US disclosed
EP-1237888-A2 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2002-09-11 EP disclosed
EP-1094816-A4 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2001-12-19 EP disclosed
WO-2001044239-A2 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB CO. (US) 2001-06-21 WO disclosed
EP-1094816-A1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-05-02 EP disclosed
WO-2000001389-A1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB CO. (US) 2000-01-13 WO 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 (3 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-20040127515-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists EDNRB, AGTR2, EDNRA GABRA1 104/4885GABRB2 56/4885ANO1 4463/4885
US-20020143024-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists EDNRB, AGTR2, EDNRA GABRA1 104/4885GABRB2 56/4885ANO1 4463/4885
US-20040106833-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists EDNRB, AGTR2, EDNRA GABRA1 104/4885GABRB2 56/4885ANO1 4463/4885

“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.