SCHEMBL4771232

SCHEMBL4771232

C=CCc1cc(C(=O)OC)ccc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.46
NOTUM Q6P988 2/20 0.41
PTPN1 P18031 3/20 0.41
RAB9A P51151 1/20 0.39
MAPT P10636 3/20 0.39
THRB P10828 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTGDR Q13258 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
STS P08842 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
PDK2 Q15119 2/20 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
SCHEMBL7510046 0.94 PTPN1 (0.44) ELANENOTUMPTPN1MAPTMEN1
SCHEMBL8772571 0.88 SMN1; SMN2 (0.45) ELANEPTPN1RAB9AMEN1KMT2A
SCHEMBL27546795 0.88 ELANE (0.42) ELANEPTPN1RAB9AMAPTTHRB
SCHEMBL36007 0.83 PPARG (0.43) NOTUMRAB9AMAPTMEN1KMT2A
SCHEMBL4838343 0.83 CYP4A11 (0.47) ELANENOTUMMAPTSTSHIF1A
SCHEMBL2314440 0.82 GAA (0.44) NOTUMMAPTSTSHIF1AKDM4E
SCHEMBL4774778 0.81 CYP4A11 (0.47) ELANENOTUMMAPTSTSHIF1A
SCHEMBL3542900 0.81 PTPN1 (0.57) ELANEPTPN1RAB9AMAPTMEN1
SCHEMBL8418577 0.80 PPARA (0.41) ELANERAB9AMAPTTHRBMEN1
SCHEMBL8419572 0.79 ELANE (0.41) ELANEPTPN1MEN1KMT2ATDP1

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 12 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
CN-1149196-C Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists ����˹�ж�-����˹˹������˾ 2004-05-12 CN 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
CN-1308536-A Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists BRISTOL MYERS SQUIBB CO (US) 2001-08-15 CN 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 ELANE 304/4885NOTUM 2409/4885PTPN1 1647/4885
US-20020143024-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists EDNRB, AGTR2, EDNRA ELANE 304/4885NOTUM 2409/4885PTPN1 1647/4885
US-20040106833-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists EDNRB, AGTR2, EDNRA ELANE 304/4885NOTUM 2409/4885PTPN1 1647/4885

“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.