SCHEMBL4059531

SCHEMBL4059531

COc1cccc(OC(C)(C(=O)O)C(=O)O)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA7 P43166 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ CA14 Q9ULX7 1/20 0.48
▸ KDM4E B2RXH2 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ HPGD P15428 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ GAA P10253 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ EDNRA P25101 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ MCL1 Q07820 1/20 0.44

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
SCHEMBL1532728 0.79 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL146841 0.76 CA1 (0.61) CA12CA1CA2CA7CA9
SCHEMBL31619452 0.75 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL1532726 0.74 POLB (0.46) CA12CA1CA2CA7CA9
SCHEMBL27176604 0.72 CA12 (0.46) CA12CA1CA2CA7CA9
Boric Acid SCHEMBL5237071 0.72 ENPP2 (0.54) CA12CA1CA2CA7CA9
SCHEMBL5624415 0.72 CA1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL28861923 0.72 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL311839 0.72 HTT (0.59) CA12CA1CA2CA7CA9
SCHEMBL29959614 0.72 HTT (0.59) CA12CA1CA2CA7CA9

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322624-B1 ARYLALKANE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY ACTELION PHARMACEUTICALS LTD (CH) 2009-10-21 — — EP disclosed
US-7091201-B2 Arylalkane-sulfonamides having endothelin-antagonist activity ACTELION PHARMACEUTICALS LTD. (CH) 2006-08-15 — — US disclosed
US-20040102464-A1 Arylalkane-sulfonamides having endothelin-antagonist activity ACTELION PHARMACEUTICALS LTD. (CH) 2004-05-27 — — US disclosed
EP-1322624-A1 ARYLALKANE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY Actelion Pharmaceuticals Ltd. (CH) 2003-07-02 — — EP disclosed
EP-0768304-B1 N-(Pyrimidinyl)-benzenesulfonamides as medicaments HOFFMANN LA ROCHE (CH) 2002-05-22 — — EP disclosed
WO-2002024665-A1 ARYLALKANE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY ACTELION PHARMACEUTICALS LTD (CH) 2002-03-28 — — WO disclosed
WO-2001081338-A1 SUBSTITUTED SULFONYLAMINOPYRIMIDINES ACTELION PHARMACEUTICALS LTD (CH) 2001-11-01 — — WO disclosed
EP-0526708-B1 Sulfonamide, preparation and use thereof as medicine and intermediate HOFFMANN LA ROCHE (CH) 2000-10-18 — — EP disclosed
EP-0768304-A1 N-(Pyrimidinyl)-benzenesulfonamides as medicaments F. HOFFMANN-LA ROCHE AG (CH) 1997-04-16 — — EP disclosed
EP-0526708-A1 Sulfonamide, preparation and use thereof as medicine and intermediate F. HOFFMANN-LA ROCHE AG (CH) 1993-02-10 — — EP 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 (1 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-20040102464-A1 Arylalkane-sulfonamides having endothelin-antagonist activity EDNRA, EDNRB, ECE2 CA12 4208/4885CA1 4830/4885CA2 1259/4885

“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.

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