SCHEMBL535880

SCHEMBL535880

CCOCc1cc(C=O)ccc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A3 P47895 3/20 0.46
ALDH3A1 P30838 2/20 0.44
MAOA P21397 3/20 0.39
MAOB P27338 3/20 0.39
TACR2 P21452 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.38
FDPS P14324 1/20 0.37
AOX1 Q06278 1/20 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
SCHEMBL31338904 0.86 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2NPC1MAPTHTT
SCHEMBL4764351 0.84 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2NPC1MAPTHTT
SCHEMBL17157479 0.83 ALDH1A3 (0.53) ALDH1A1SMN1; SMN2NPC1MAPTHTT
SCHEMBL5523809 0.82 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2NPC1MAPTHTT
SCHEMBL28485507 0.81 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2NPC1MAPTHTT
SCHEMBL17864851 0.80 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2NPC1MAPTHTT
SCHEMBL4765870 0.79 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2NPC1MAPTHTT
SCHEMBL15853563 0.77 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2NPC1MAPTHTT
SCHEMBL13145347 0.77 PRKCI (0.38) ALDH1A1NPC1MAPTHTTRAB9A
SCHEMBL4771689 0.76 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2NPC1MAPTHTT

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023224963-A1 DUAL-ACTING ANGIOTENSIN AND ENDOTHELIN RECEPTOR ANTAGONISTS ARIA PHARMACEUTICALS, INC. (US) 2023-11-23 WO disclosed
WO-2023224963-A1 DUAL-ACTING ANGIOTENSIN AND ENDOTHELIN RECEPTOR ANTAGONISTS ARIA PHARMACEUTICALS, INC. (US) 2023-11-23 WO disclosed
WO-2023066348-A1 DUAL ANTAGONIST AND USE THEREOF 年衍药业(上海)有限公司 2023-04-27 WO disclosed
EP-3708163-A1 USE OF SPARSENTAN FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES Ligand Pharmaceuticals, Inc. (US) 2020-09-16 EP disclosed
EP-3708163-A1 USE OF SPARSENTAN FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES Ligand Pharmaceuticals, Inc. (US) 2020-09-16 EP disclosed
EP-3222277-B1 A BIPHENYLSULFONAMIDE ENDOTHELIN AND ANGIOTENSIN II RECEPTOR ANTAGONIST TO TREAT GLOMERULOSCLEROSIS AND IGA-INDUCED NEPHROPATHY LIGAND PHARM INC (US) 2020-02-26 EP disclosed
US-20180344705-A1 METHOD FOR TREATING CHRONIC INFLAMMATORY DISEASES LIGAND PHARMACEUTICALS INC. 2018-12-06 US disclosed
US-9993461-B2 Method for treating disorders associated with glomerular function LIGAND PHARMACEUTICALS INC. (US) 2018-06-12 US disclosed
US-9993461-B2 Method for treating disorders associated with glomerular function LIGAND PHARMACEUTICALS INC. (US) 2018-06-12 US disclosed
US-20170354646-A1 METHOD FOR TREATING DISORDERS ASSOCIATED WITH GLOMERULAR FUNCTION CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2017-12-14 US 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 (5 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 1854/4885SMN1; SMN2 3448/4885NPC1 3810/4885
US-20180344705-A1 METHOD FOR TREATING CHRONIC INFLAMMATORY DISEASES AGTR2, AGTR1, EDNRA ALDH1A1 1107/4885SMN1; SMN2 3564/4885NPC1 1760/4885
US-20020143024-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists EDNRB, AGTR2, EDNRA ALDH1A1 1854/4885SMN1; SMN2 3448/4885NPC1 3810/4885
US-20040106833-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists EDNRB, AGTR2, EDNRA ALDH1A1 1854/4885SMN1; SMN2 3448/4885NPC1 3810/4885
US-20170354646-A1 METHOD FOR TREATING DISORDERS ASSOCIATED WITH GLOMERULAR FUNCTION REN, AGTR2, AGTR1 ALDH1A1 1720/4885SMN1; SMN2 3173/4885NPC1 2784/4885

“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.