SCHEMBL7961

SCHEMBL7961

COc1ccc(P2(=S)SP(=S)(c3ccc(OC)cc3)S2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA12 O43570 1/20 0.50
CA14 Q9ULX7 1/20 0.50
ACHE P22303 1/20 0.42
MAPK1 P28482 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
APP P05067 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL12999906 1.00 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL78695 0.92 ACHE (0.58) CA1CA2CA7CA9CA12
SCHEMBL10077999 0.90 ESR2 (0.53) CA1CA2CA7CA9CA12
SCHEMBL26234450 0.89 MAPT (0.47) CA1CA2CA7CA9CA12
SCHEMBL14012625 0.86 CA1 (0.41) CA1CA2CA7CA9CA12
SCHEMBL10224439 0.86 ALDH1A1 (0.42) CA1CA2CA7CA9CA12
SCHEMBL23664313 0.86 APP (0.38) CA1CA2CA7CA9CA12
SCHEMBL12358544 0.86 ALDH1A1 (0.63) TDP1ALDH1A1TP53KDM4ENPC1
SCHEMBL10258334 0.86 ALDH1A1 (0.41) CA1CA2CA7CA9CA12
SCHEMBL10073451 0.83 CA1 (0.66) CA1CA2CA7CA9CA12

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

Appears in 25436 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12637412-B2 Preparation of aromatic carboxyamides by a palladium-catalyzed carbonylation reaction BASF SE (DE) 2026-05-26 US claimed
EP-4745135-A1 COMPOUND BASED ON THIO-GLUTARIMIDO ISOINDOLINONE SKELETON AND USE THEREOF Gluetacs Therapeutics (Shanghai) Co., Ltd. (CN) 2026-05-20 EP claimed
EP-4700015-A1 HETEROCYCLIC RING-SUBSTITUTED AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF Shanghai Henlius Biotech, Inc. (CN) 2026-02-25 EP claimed
EP-4143158-B1 PREPARATION OF AROMATIC CARBOXYAMIDES BY PALLADIUM-CATALYZED CARBONYLATION REACTION BASF SE (DE) 2025-10-01 EP claimed
US-20250270370-A1 Polymers with thioamide repeating units HELSINGIN YLIOPISTO (FI) 2025-08-28 US claimed
US-20250270596-A1 MEVALONATE DERIVATIVES AND METHODS FOR MAKING THE SAME UNIV DUKE (US) 2025-08-28 US claimed
US-12398126-B2 Process to synthesize 5-(3pyridyl)-2,2′-bithiophene(sensitizer) FERMENTA BIOTECH LIMITED (IN) 2025-08-26 US claimed
WO-2025149545-A1 HETEROARYLPHENYL ETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-07-17 WO claimed
EP-3898645-B1 2-FLUORINATED BILE ACIDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NZP UK LTD (GB) 2025-06-25 EP claimed
WO-2025087033-A1 COMPOUND CONTAINING (1,3,4-THIADIAZOLE)BENZENE-1,2-ETHYLENEDIAMINE, PREPARATION METHOD THEREFOR AND USE THEREOF 中国海洋大学 2025-05-01 WO claimed
EP-0163416-A2 Phenol derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-12-04 EP claimed
EP-0154851-A1 Benzisoselenazolethiones,process for their preparation and pharmaceutical products containing these compounds A. Nattermann & Cie. GmbH (DE) 1985-09-18 EP claimed
EP-0145095-A2 1,2,4-Oxa (Thia) diazolin-3-one derivatives NIPPON SODA CO., LTD. (JP) 1985-06-19 EP claimed
EP-0138504-A2 Steroid derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-04-24 EP claimed
EP-0124369-A1 Phenol derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-11-07 EP claimed
EP-0122419-A2 Substituted 3-mercaptopyridazines, their 3-alkylthio derivatives and processes for their preparation A. Nattermann & Cie. GmbH (DE) 1984-10-24 EP claimed
EP-0109636-A2 Benzazepine derivatives, process for their preparation and their use as pharmaceutical compounds Dr. Karl Thomae GmbH (DE) 1984-05-30 EP claimed
EP-0109047-A1 Total synthesis of antitumor antibiotics Bristol-Myers Company (US) 1984-05-23 EP claimed
US-4427588-A Process for conversion of oxotomaymycin to tomaymycin BRISTOL-MYERS COMPANY (US) 1984-01-24 US claimed
US-4427587-A COUPLING ALKYL ESTER OF 4-HYDROXY PROLINE WITH NITRO, OXY, AROMATIC ACID, REDUCING NITRO GROUP AND CYCLIZATION BRISTOL-MYERS COMPANY (US) 1984-01-24 US claimed