SCHEMBL4977240

SCHEMBL4977240

COc1cc(S)ccc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.39
DHFR P00374 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TUBB1 Q9H4B7 3/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
CA4 P22748 1/20 0.36
S1PR1 P21453 4/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
KMO O15229 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
SCHEMBL27619534 0.83 KMT2A (0.33)
SCHEMBL10370639 0.81 ACHE (0.44) ACHECA12CA1CA2CA7
SCHEMBL1138620 0.80 CA2 (0.54) ACHECA12CA1CA2CA7
SCHEMBL28861314 0.78 CA2 (0.52) ACHECA12CA1CA2CA7
SCHEMBL15932982 0.78 CYP3A4 (0.41) ACHECA12CA1CA2CA7
SCHEMBL8427827 0.76 MAPT (0.47) ALDH1A1TAAR1MAPTGRM4
SCHEMBL8487754 0.76 ACHE (0.39) ACHEDHFRTUBB1CA12CA1
SCHEMBL15355094 0.76 NOTUM (0.32)
SCHEMBL24050786 0.76 PDE4A (0.49) TAS1R3TAS1R1TUBB1CA12CA1
SCHEMBL9440147 0.75 ALDH1A1 (0.56) DHFRS1PR1ALDH1A1CYP3A4KMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1735319-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2017-05-03 EP disclosed
US-20160193206-A1 BET-PROTEIN-INHIBITING DIHYDROPYRIDOPYRAZINONES Bayer Pharma AG (DE) 2016-07-07 US disclosed
US-7332261-B2 Phthalocyanine compound, process for preparing the same, and optical recording medium containing the same CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-02-19 US disclosed
EP-1482013-B1 PHTHALOCYANINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND OPTICAL RECORDING MEDIUM CONTAINING THE SAME CIBA SC HOLDING AG (CH) 2007-07-18 EP disclosed
US-7244763-B2 Compounds that modulate PPAR activity and methods of preparation WARNER LAMBERT COMPANY LLC (US) 2007-07-17 US disclosed
EP-0938497-B1 CONSTRAINED HELICAL PEPTIDES AND METHODS OF MAKING SAME GENENTECH INC (US) 2007-02-28 EP disclosed
EP-1620086-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS OF PREPARATION Warner-Lambert Company LLC (US) 2006-02-01 EP disclosed
US-20050201265-A1 Phthalocyanine compound, process for producing the same, and optical recording medium containing the same MITSUI CHEMICALS, INC. (JP) 2005-09-15 US disclosed
US-6875780-B2 Compounds that modulate PPAR activity and methods for their preparation WARNER-LAMBERT COMPANY (US) 2005-04-05 US disclosed
EP-1482013-A1 PHTHALOCYANINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND OPTICAL RECORDING MEDIUM CONTAINING THE SAME MITSUI CHEMICALS, INC. (JP) 2004-12-01 EP disclosed
US-20040209936-A1 Compounds that modulate PPAR activity and methods of preparation BRATTON LARRY D (US) 2004-10-21 US disclosed
US-20020151473-A1 Constrained helical peptides and methods of making same BRAISTED ANDREW C (US) 2002-10-17 US disclosed
US-6271198-B1 CYCLIC PEPTIDES GENENTECH, INC. 2001-08-07 US disclosed
EP-0938497-A1 CONSTRAINED HELICAL PEPTIDES AND METHODS OF MAKING SAME Genentech, Inc. (US) 1999-09-01 EP disclosed
WO-1998020036-A1 CONSTRAINED HELICAL PEPTIDES AND METHODS OF MAKING SAME GENENTECH, INC. (US) 1998-05-14 WO disclosed
EP-0129478-B1 2-SULFAMOYLBENZO (B) THIOPHENE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF ELEVATED INTRAOCULAR PRESSURE MERCK & CO. INC. (US) 1990-01-17 EP disclosed
US-4788192-A TOPICALLY APPLYING; FOR GLAUCOMA MERCK & CO., INC. (US) 1988-11-29 US disclosed
US-4668697-A Elevated intraocular pressure lowering benzo-[b]-thiophene-2-sulfonamide derivatives, compositions, and method of use therefor MERCK & CO., INC. (US) 1987-05-26 US disclosed
EP-0129478-A2 2-Sulfamoylbenzo (b) thiophene derivatives, their preparation and pharmaceutical composition for the treatment of elevated intraocular pressure MERCK & CO. INC. (US) 1984-12-27 EP disclosed
US-4299827-A O-Ethyl S-n-propyl O-[4-methylthio(sulfinyl)(sulfonyl)-2(3)-methoxyphenyl]p TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-11-10 US 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-20160193206-A1 BET-PROTEIN-INHIBITING DIHYDROPYRIDOPYRAZINONES BRD4, BET1, BRDT ACHE 4139/4885DHFR 878/4885TAS1R3 2865/4885
US-20040209936-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARG, PPARD ACHE 2797/4885DHFR 1384/4885TAS1R3 3021/4885
US-20020151473-A1 Constrained helical peptides and methods of making same TIMCC, FURIN, NGLY1 ACHE 4881/4885DHFR 321/4885TAS1R3 4764/4885

“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.