SCHEMBL4771259

SCHEMBL4771259

COc1c(C)[nH]c(C)cc1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP19A1 P11511 4/20 0.39
KDM4E B2RXH2 2/20 0.38
CYP1A2 P05177 2/20 0.38
GAA P10253 2/20 0.38
ADORA1 P30542 1/20 0.37
CA1 P00915 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
NQO2 P16083 3/20 0.36
LMNA P02545 2/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
LPO P22079 1/20 0.34
PTGS1 P23219 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34

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
SCHEMBL16257134 0.76 ALDH1A1 (0.40) HPGDALDH1A1CYP19A1KDM4ECYP1A2
SCHEMBL5523861 0.76 DAO (0.41) CYP19A1PDE3BPDE3ANQO2GRIN2D
SCHEMBL9177598 0.74 HPGD (0.46) HPGDALDH1A1CYP1A2SMN1; SMN2
SCHEMBL21341793 0.72 KDM4E (0.43) HPGDALDH1A1KDM4ECYP1A2GAA
SCHEMBL9136107 0.70 KDM4E (0.42) HPGDALDH1A1KDM4ECYP1A2GAA
SCHEMBL13873246 0.70 CYP19A1 (0.56) HPGDALDH1A1CYP19A1KDM4ECYP1A2
SCHEMBL4478455 0.68 HPGD (0.46) HPGDALDH1A1KDM4ECYP1A2GAA
SCHEMBL9455203 0.68 ALDH1A1 (0.50) HPGDALDH1A1KDM4ECYP1A2GAA
SCHEMBL12409005 0.67
SCHEMBL31747984 0.66 NPC1 (0.36) ALDH1A1CYP19A1GAACA1NQO2

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 11 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-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
WO-2001044239-A2 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB CO. (US) 2001-06-21 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 HPGD 2415/4885ALDH1A1 1854/4885CYP19A1 784/4885
US-20020143024-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists EDNRB, AGTR2, EDNRA HPGD 2415/4885ALDH1A1 1854/4885CYP19A1 784/4885
US-20040106833-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists EDNRB, AGTR2, EDNRA HPGD 2415/4885ALDH1A1 1854/4885CYP19A1 784/4885

“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.