SCHEMBL95253

SCHEMBL95253

COC(=O)[CH]Cc1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.50
CA1 P00915 4/20 0.50
CA12 O43570 3/20 0.50
CA7 P43166 3/20 0.50
CA9 Q16790 3/20 0.50
CA14 Q9ULX7 3/20 0.50
TYR P14679 1/20 0.50
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
MIF P14174 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
KDM4E B2RXH2 2/20 0.42
F13A1 P00488 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL3755931 0.83 ALDH1A1 (0.47) KDM4EALDH1A1MEN1KMT2ACYP1A2
SCHEMBL28885206 0.83 KDM4E (0.45) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL294028 0.82 MAOB (0.43) CA2CA1KDM4EALDH1A1MAPT
SCHEMBL11750979 0.81 CA12 (0.56) CA2CA1CA12CA7CA9
SCHEMBL6175951 0.81 CA1 (0.56) CA2CA1CA12CA7CA9
SCHEMBL6175944 0.81 CA1 (0.56) CA2CA1CA12CA7CA9
SCHEMBL4423792 0.80 MIF (0.42) CA2CA1CA12CA7CA9
SCHEMBL4420188 0.80 CA2 (0.54) CA2CA1CA12CA7CA9
SCHEMBL3090267 0.77 NPC1 (0.57) ALDH1A1CYP1A2CYP2C19
SCHEMBL8067640 0.75 CA2 (0.52) CA2CA1CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572678-A4 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS ELAN PHARM INC (US) 2008-05-07 EP claimed
US-7183281-B2 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2007-02-27 US claimed
EP-1438310-B1 BETA-CARBOLIN DERIVATIVES AS PTP-INHIBITORS TRANSTECH PHARMA INC (US) 2006-12-20 EP claimed
US-7074783-B2 Sulfonylbenzodiazepinone acetamides as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2006-07-11 US claimed
EP-1572678-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-09-14 EP claimed
US-6933303-B2 Heteroaryl-fused nitrogen heterocycles as therapeutic agents TRANSTECH PHARMA, INC. (US) 2005-08-23 US claimed
EP-1549622-A1 SULFONYLBENZODIAZEPINONE ACETAMIDES AS BRADYKININ ANTAGONISTS Elian Pharmaceuticals Inc. (US) 2005-07-06 EP claimed
EP-1501807-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-02-02 EP claimed
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 US claimed
EP-1438310-A1 BETA-CARBOLIN DERIVATIVES AS PTP-INHIBITORS TransTech Pharma Inc. (US) 2004-07-21 EP claimed
US-20040138208-A1 Sulfonylbenzodiazepinone acetamides as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-15 US claimed
WO-2004056319-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS INC. (US) 2004-07-08 WO claimed
WO-2004033436-A1 SULFONYLBENZODIAZEPINONE ACETAMIDES AS BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS INC (US) 2004-04-22 WO claimed
US-20040014778-A1 Heteroaryl - fused nitrogen heterocycles as therapeutic agents VTVX HOLDINGS I LLC 2004-01-22 US claimed
WO-2003093245-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS, INC. (US) 2003-11-13 WO claimed
WO-2003033496-A1 BETA-CARBOLIN DERIVATIVES AS PTP-INHIBITORS TRANSTECH PHARMA, INC. (US) 2003-04-24 WO claimed
CN-117342953-A Use of rosmarinic acid and analogues thereof in the treatment of vascular diseases 西北大学 2024-01-05 CN disclosed
CN-117304022-A Method for synthesizing rosmarinic acid and analogues thereof 西北大学 2023-12-29 CN disclosed
US-20040014778-A1 Heteroaryl - fused nitrogen heterocycles as therapeutic agents VTVX HOLDINGS I LLC 2004-01-22 US disclosed
WO-2003033496-A1 BETA-CARBOLIN DERIVATIVES AS PTP-INHIBITORS TRANSTECH PHARMA, INC. (US) 2003-04-24 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-20040014778-A1 Heteroaryl - fused nitrogen heterocycles as therapeutic agents PTPRG, PTPRM, PTPRC CA2 3203/4885CA1 3543/4885CA12 3790/4885
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists BDKRB2, BDKRB1, PDXK CA2 384/4885CA1 1006/4885CA12 2479/4885
US-20040138208-A1 Sulfonylbenzodiazepinone acetamides as bradykinin antagonists BDKRB1, BDKRB2, HRH2 CA2 1053/4885CA1 1803/4885CA12 2983/4885

“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.