SCHEMBL3143

SCHEMBL3143

[C]1CCc2ccccc2S1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.36
RYR2 Q92736 1/20 0.35
TSHR P16473 1/20 0.35
PNMT P11086 1/20 0.32
CD44 P16070 1/20 0.32
MAOB P27338 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL884370 0.87 TSHR (0.42) HTR2CRYR2TSHRPNMTCD44
SCHEMBL9118595 0.78 TSHR (0.32) TSHR
SCHEMBL2928 0.76
SCHEMBL7280713 0.74 RYR2 (0.33) RYR2ALDH1A1
SCHEMBL832046 0.68 RYR2 (0.53) HTR2CRYR2PNMTCD44MAOB
SCHEMBL7281042 0.68 MEN1 (0.41) RYR2ALDH1A1HPGD
SCHEMBL4488551 0.67 ALDH1A1 (0.50) HTR2CRYR2TSHRKDM4EALDH1A1
SCHEMBL1592642 0.64 ITGB2 (0.44) TSHR
SCHEMBL9116473 0.64 MAOA (0.35) TSHRMAOB
SCHEMBL4166749 0.64 TSHR (0.53) HTR2CTSHRPNMTCD44MAOB

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 3469 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210369680-A1 METHODS OF TREATING DISEASES AND DISORDERS RESULTING FROM BETA CORONAVIRUS INFECTION T3D THERAPEUTICS INC (US) 2021-12-02 US claimed
US-20210212996-A1 METHODS OF TREATING NEURODEGENERATIVE DISEASES USING INDANE ACETIC ACID DERIVATIVES WHICH PENETRATE THE BLOOD BRAIN BARRIER DARA BIOSCIENCES, INC. (US) 2021-07-15 US claimed
US-20200261421-A1 HETEROCYCLIC COMPOUNDS AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-08-20 US claimed
US-20200069691-A1 HETEROCYCLIC COMPOUNDS AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-03-05 US claimed
EP-3558305-A1 HETEROCYCLIC COMPOUNDS AS HIV PROTEASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2019-10-30 EP claimed
EP-3558285-A1 HETEROCYCLIC COMPOUNDS AS HIV PROTEASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2019-10-30 EP claimed
EP-3548023-A1 METHODS OF DOSE ADMINISTRATION FOR TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES T3D Therapeutics, Inc. (US) 2019-10-09 EP claimed
US-20180200230-A1 METHODS OF TREATING NEURODEGENERATIVE DISEASES USING INDANE ACETIC ACID DERIVATIVES WHICH PENETRATE THE BLOOD BRAIN BARRIER DARA BIOSCIENCES, INC. (US) 2018-07-19 US claimed
WO-2018118827-A1 HETEROCYCLIC COMPOUNDS AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-06-28 WO claimed
WO-2018118829-A1 HETEROCYCLIC COMPOUNDS AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-06-28 WO claimed
EP-0587193-A1 1,2-Ethanediol derivative and salt thereof, process for producing the same, and cerebral function-improving agent comprising the same TOYAMA CHEMICAL CO., LTD. (JP) 1994-03-16 EP claimed
WO-1994002489-A1 CEPHALOSPORINS AND 1-CARBA-1-DETHIA CEPHALOSPORINS SMITHKLINE BEECHAM PLC (GB) 1994-02-03 WO claimed
US-5280032-A 1,2-ethanediol derivative and salt thereof, process for producing the same, and cerebral function-improving agent comprising the same TOYAMA CHEMICAL CO., LTD. (JP) 1994-01-18 US claimed
US-5260316-A Lipoxygenase inhibitor CIBA-GEIGY CORPORATION (US) 1993-11-09 US claimed
US-4987130-A ANTIARRHYTHMIA AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-01-22 US claimed
EP-0383281-A1 1,2-ethanediol derivative and salt thereof, process for producing the same, and cerebral function-improving agent comprising the same TOYAMA CHEMICAL CO., LTD. (JP) 1990-08-22 EP claimed
US-4638000-A HYPOTENSIVES, ANGIOTENSIN INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-01-20 US claimed
EP-0041674-B1 2-(TRICHLORO-METHYL-PHENYL)-4-HALOGEN-OXAZOLE DERIVATIVES, PROCESS FOR PREPARING THEM AND RADIATION-SENSITIVE COMPOSITIONS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1986-02-26 EP claimed
EP-0041675-B1 4-HALOGEN-5-(TRICHLOROMETHYL-PHENYL)-OXAZOLE DERIVATIVES, PROCESS FOR PREPARING THEM AND RADIATION-SENSITIVE COMPOSITIONS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1985-12-11 EP claimed
US-4548932-A ANGIOTENSIN INHIBITOR, HYPOTENSIVE AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-10-22 US claimed