SCHEMBL4774060

SCHEMBL4774060

Cc1ccc(Br)c(OCC(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
ALDH1A1 P00352 3/20 0.48
THRB P10828 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 5/20 0.43
HPGD P15428 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CYP2C9 P11712 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
ADORA3 P0DMS8 1/20 0.40
CYP2D6 P10635 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 3/20 0.37
TLR8 Q9NR97 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
SCHEMBL31510958 0.84 L3MBTL1 (0.42) MAPTALDH1A1GAAL3MBTL1HPGD
SCHEMBL13607201 0.82 ALDH1A1 (0.61) MAPTALDH1A1THRBGPR55GAA
SCHEMBL5157303 0.82 L3MBTL1 (0.44) MAPTALDH1A1L3MBTL1HPGDCYP1A2
SCHEMBL13475539 0.81 TSHR (0.50) MAPTALDH1A1THRBGPR55GAA
SCHEMBL12388688 0.80 FFAR1 (0.44) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL18305473 0.80 L3MBTL1 (0.40) MAPTALDH1A1GAAL3MBTL1HPGD
SCHEMBL4769489 0.79 ALDH1A1 (0.41) MAPTALDH1A1THRBGPR55GAA
SCHEMBL13178888 0.79 MAPT (0.56) MAPTALDH1A1GAAL3MBTL1HPGD
SCHEMBL20969213 0.78 ACHE (0.61) MAPTALDH1A1THRBGPR55GAA
SCHEMBL19120546 0.78 MAPT (0.56) MAPTALDH1A1THRBGPR55GAA

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 16 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
WO-1992019622-A1 ARYLLITHIUM PROCESS FMC CORPORATION (US) 1992-11-12 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 MAPT 3726/4885ALDH1A1 1854/4885THRB 616/4885
US-20020143024-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists EDNRB, AGTR2, EDNRA MAPT 3726/4885ALDH1A1 1854/4885THRB 616/4885
US-20040106833-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists EDNRB, AGTR2, EDNRA MAPT 3726/4885ALDH1A1 1854/4885THRB 616/4885

“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.