SCHEMBL921252

SCHEMBL921252

[O]c1ccc2c(c1)OCO2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.54
ALDH1A1 P00352 4/20 0.54
HSD17B10 Q99714 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
MAPK1 P28482 1/20 0.52
CMA1 P23946 2/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NPC1 O15118 2/20 0.48
POLB P06746 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
SRD5A2 P31213 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45
ATM Q13315 1/20 0.45
MAPT P10636 3/20 0.44
CYP1A2 P05177 2/20 0.44
CA12 O43570 1/20 0.44
CA2 P00918 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
SCHEMBL2809742 0.85 TSHR (0.50) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL23569155 0.71 ALDH1A1 (0.50) CYP3A4ALDH1A1HSD17B10TDP1MAPK1
SCHEMBL529821 0.71 TAAR1 (0.62) CYP3A4ALDH1A1CMA1TAAR1MAPT
SCHEMBL1045633 0.70 CYP3A4 (0.54) CYP3A4ALDH1A1HSD17B10TDP1MAPK1
SCHEMBL126245 0.70 MAPT (0.63) CYP3A4ALDH1A1HSD17B10TDP1MAPK1
SCHEMBL11396842 0.70 CYP3A4 (0.54) CYP3A4ALDH1A1HSD17B10TDP1MAPK1
SCHEMBL20959 0.70 CYP3A4 (1.00) CYP3A4ALDH1A1HSD17B10TDP1MAPK1
SCHEMBL4398810 0.70 CYP3A4 (0.54) CYP3A4ALDH1A1HSD17B10TDP1MAPK1
SCHEMBL22162812 0.70 CA12 (0.58) CYP3A4ALDH1A1HSD17B10TDP1MEN1
SCHEMBL8163694 0.70 CYP3A4 (0.54) CYP3A4ALDH1A1HSD17B10TDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118047707-A Direct cross coupling method of sulfoxide ylide and aryl fluorosulfonate 南京工业大学 2024-05-17 CN claimed
EP-2350090-B1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2015-06-03 EP claimed
US-8263606-B2 Spiro-oxindole compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2012-09-11 US claimed
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2010-06-03 US claimed
US-7348348-B2 Aryl-link-aryl substituted thiazolidine-dione and oxazolidine-dione as sodium channel blockers MERCK & CO. INC. (US) 2008-03-25 US claimed
WO-2007081755-A2 INDOLE-BENZIMIDAZOLE AND INDAZOLE INHIBITORS OF TYROSINE PHOSPHATASES METABASIS THERAPEUTICS, INC. (US) 2007-07-19 WO claimed
US-20050165072-A1 Aryl-link-aryl substituted thiazolidine-dione and oxazolidine-dione as sodium channel blockers MERCK SHARP & DOHME CORP. 2005-07-28 US claimed
US-6569847-B1 Inhibitors of cathepsins for treating muscular dystrophy, osteoporosis, rheumatoid arthritis, neuronal or cardiac ischaemia, allergy, or Chagas disease NAEJA PHARMACEUTICALS INC. (CA) 2003-05-27 US claimed
US-20030092634-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2003-05-15 US claimed
US-6506733-B1 Which process comprises hydrogenating a compound of Formula 9: presence of a catalytic amount of 20% palladium hydroxide on carbon. AXYS PHARMACEUTICALS, INC. 2003-01-14 US claimed
EP-1165506-A1 SUBSTITUTED AZETIDIN-2-ONES AS CYSTEINE PROTEASE INHIBITORS Naeja Pharmaceutical Inc. (CA) 2002-01-02 EP claimed
EP-1159260-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-05 EP claimed
WO-2000059881-A1 SUBSTITUTED AZETIDIN-2-ONES AS CYSTEINE PROTEASE INHIBITORS NAEJA PHARMACEUTICAL INC (CA) 2000-10-12 WO claimed
WO-2000055124-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO claimed
WO-1999048911-A1 MONOBACTAM ENZYME INHIBITORS NAEJA PHARMACEUTICAL INC. (GB) 1999-09-30 WO claimed
US-5532233-A PLATELET ACTIVATING FACTOR ANTAGONIST BOEHRINGER INGELHEIM KG (DE) 1996-07-02 US claimed
EP-0254245-B1 Hetrazepins and processes for their preparation BOEHRINGER INGELHEIM KG (DE) 1994-09-28 EP claimed
EP-0368175-A1 3S,7S-3-(Morpholinocarbonyl)-5-(2-chlorphenyl)-7,10-dimethyl-3,4-dihydro-2H,7H-cyclopenta[4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine. BOEHRINGER INGELHEIM KG (DE) 1990-05-16 EP claimed
EP-0329013-A2 Renin-inhibiting amino acid derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-23 EP claimed
US-4001280-A ANTIALLERGENS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-01-04 US claimed

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-20050165072-A1 Aryl-link-aryl substituted thiazolidine-dione and oxazolidine-dione as sodium channel blockers KCNN1, KCNH1, KCNN2 CYP3A4 1902/4885ALDH1A1 993/4885HSD17B10 3022/4885
US-20030092634-A1 Novel compounds and compositions as protease inhibitors SERPINB1, HPN, CTRL CYP3A4 1171/4885ALDH1A1 3641/4885HSD17B10 2031/4885
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 CYP3A4 991/4885ALDH1A1 1020/4885HSD17B10 2243/4885

“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.