SCHEMBL4764301

SCHEMBL4764301

O=Cc1ccc(OS(=O)(=O)C(F)(F)F)c(CCC(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 1/20 0.34
HTR1A P08908 4/20 0.33
HTR1D P28221 4/20 0.33
HTR1B P28222 4/20 0.33
STS P08842 1/20 0.33
FDPS P14324 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
CYP1A2 P05177 1/20 0.32
AOX1 Q06278 1/20 0.32
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL22032224 0.85 ALDH1A1 (0.40) ALDH1A1MEN1POLBHPGDKMT2A
SCHEMBL16055495 0.83 DRD2 (0.36) ALDH1A1MEN1POLBHPGDKMT2A
SCHEMBL8420019 0.81 KDM4E (0.39) ALDH1A1MEN1POLBHPGDKMT2A
SCHEMBL4769506 0.80 ALDH1A1 (0.53) ALDH1A1MEN1POLBHPGDKMT2A
SCHEMBL4773423 0.80 ATM (0.46) ALDH1A1MEN1POLBHPGDKMT2A
SCHEMBL1786055 0.77 ALDH1A1 (0.40) ALDH1A1MEN1POLBHPGDKMT2A
SCHEMBL2001921 0.76 ALDH1A1 (0.42) ALDH1A1MEN1POLBHPGDKMT2A
SCHEMBL31058810 0.76 ALDH1A1 (0.46) ALDH1A1HPGDTSHRSTSFDPS
SCHEMBL1602235 0.76 ALDH1A1 (0.46) ALDH1A1HPGDTSHRSTSFDPS
SCHEMBL11909948 0.76 KIF11 (0.40) ALDH1A1MEN1POLBHPGDKMT2A

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 13 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
CN-1308536-A Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists BRISTOL MYERS SQUIBB CO (US) 2001-08-15 CN 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 ALDH1A1 1854/4885MEN1 3697/4885POLB 3365/4885
US-20020143024-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists EDNRB, AGTR2, EDNRA ALDH1A1 1854/4885MEN1 3697/4885POLB 3365/4885
US-20040106833-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists EDNRB, AGTR2, EDNRA ALDH1A1 1854/4885MEN1 3697/4885POLB 3365/4885

“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.