SCHEMBL1928095

SCHEMBL1928095

c1ccc(COCC2CC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
CTSL P07711 1/20 0.57
CTSB P07858 1/20 0.57
CTSK P43235 1/20 0.57
NAAA Q02083 1/20 0.49
TAAR1 Q96RJ0 1/20 0.47
LMNA P02545 1/20 0.47
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
DRD2 P14416 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL17019782 1.00 TSHR (0.58) TSHRCTSLCTSBCTSKNAAA
SCHEMBL6748142 0.92 CTSL (0.51) TSHRCTSLCTSBCTSKNAAA
SCHEMBL4677170 0.92 TSHR (0.54) TSHRCTSLCTSBCTSKNAAA
SCHEMBL6649338 0.92 TSHR (0.54) TSHRCTSLCTSBCTSKNAAA
SCHEMBL23744979 0.91 CTSL (0.50) TSHRCTSLCTSBCTSKNAAA
SCHEMBL17043033 0.91 CTSL (0.50) TSHRCTSLCTSBCTSKNAAA
SCHEMBL17043034 0.91 CTSL (0.50) TSHRCTSLCTSBCTSKNAAA
SCHEMBL5526823 0.91 CTSL (0.50) TSHRCTSLCTSBCTSKNAAA
SCHEMBL2374859 0.91 CTSL (0.50) TSHRCTSLCTSBCTSKNAAA
SCHEMBL5526821 0.91 CTSL (0.50) TSHRCTSLCTSBCTSKNAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2780026-A2 HCV NS3 PROTEASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-09-24 EP claimed
WO-2013074386-A2 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-05-23 WO claimed
EP-4540255-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2025-04-23 EP disclosed
WO-2023244615-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2023-12-21 WO disclosed
US-20230331712-A1 SOLID FORMS OF (R)-1(2,2-DIFLUOROBENZO[D][1,3]DIOXOL-5-YL)-N-(1-(2,3-DIHYDROXYPROPYL)-6-FLUORO-2-(1-HYDROXY-2-METHYLPROPAN-2-YL)-1H-INDOL-5-YL)CYCLOPROPANECARBOXAMIDE VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-19 US disclosed
WO-2022068929-A1 PYRIMIDINEDIONE COMPOUND AND USE THEREOF 武汉人福创新药物研发中心有限公司 2022-04-07 WO disclosed
WO-2020002314-A1 RADIOLABELED CANNABINOID RECEPTOR 2 LIGAND F. HOFFMANN-LA ROCHE AG (CH) 2020-01-02 WO disclosed
EP-2780026-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2019-10-23 EP disclosed
CN-108419435-A Compound and epigenetics for treating cancer 新加坡科技研究局 2018-08-17 CN disclosed
US-9328138-B2 HCV NS3 protease inhibitors MSD ITALIA S.R.L. (IT) 2016-05-03 US disclosed
US-20150320736-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES VERTEX PHARMACEUTICALS INCORPORATED 2015-11-12 US disclosed
US-20100280068-A1 QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 US disclosed
US-20100113513-A1 QUINOLINE DERIVATIVES AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-05-06 US disclosed
WO-2010037836-A2 CROSS-SPECIES-SPECIFIC PSMAXCD3 BISPECIFIC SINGLE CHAIN ANTIBODY MICROMET AG (DE) 2010-04-08 WO disclosed
US-20100056570-A1 FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-03-04 US disclosed
WO-2008106225-A1 MACROLIDE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2008-09-04 WO disclosed
US-20080171767-A1 N-substituted-2-alkylthio-2-(substituted aryloxy and heteroaryloxy)alkylamides and their sulphinyl and sulphonyl derivatives such as 2-(3,5-dichlorophenoxy)-2-methylthio-N-2-methylprop-2-yl acetamide; fungal infections of plants SYNGENTA CROP PROTECTION, INC. (US) 2008-07-17 US disclosed
EP-0250360-A3 SUBSTITUTED BENZYL-CYCLOPROPYL-METHYL-ETHERS CIBA-GEIGY AG (CH) 1988-11-30 EP disclosed
EP-0268560-A2 Substituted phenoxybenzyl-(dihalogen-dimethyl-cyclopropyl-methyl) ether CIBA-GEIGY AG (CH) 1988-05-25 EP disclosed
EP-0250360-A2 Substituted benzyl-cyclopropyl-methyl-ethers CIBA-GEIGY AG (CH) 1987-12-23 EP 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 (6 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-20080171767-A1 N-substituted-2-alkylthio-2-(substituted aryloxy and heteroaryloxy)alkylamides and their sulphinyl and sulphonyl derivatives such as 2-(3,5-dichlorophenoxy)-2-methylthio-N-2-methylprop-2-yl acetamide; fungal infections of plants NAT1, DPM1, AADAC TSHR 3776/4885CTSL 4311/4885CTSB 4256/4885
US-20150320736-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES CFTR, SLC26A4, PKD1 TSHR 1730/4885CTSL 1943/4885CTSB 2363/4885
US-20230331712-A1 SOLID FORMS OF (R)-1(2,2-DIFLUOROBENZO[D][1,3]DIOXOL-5-YL)-N-(1-(2,3-DIHYDROXYPROPYL)-6-FLUORO-2-(1-HYDROXY-2-METHYLPROPAN-2-YL)-1H-INDOL-5-YL)CYCLOPROPANECARBOXAMIDE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HTR1A, HTR1D TSHR 2791/4885CTSL 1364/4885CTSB 2101/4885
US-20100056570-A1 FUNGICIDES CYP21A2, CYP51A1, CYP4X1 TSHR 1125/4885CTSL 2259/4885CTSB 2948/4885
US-20100113513-A1 QUINOLINE DERIVATIVES AS FUNGICIDES CYP1A1, CYP4X1, CYP3A7 TSHR 2730/4885CTSL 2493/4885CTSB 2699/4885
US-20100280068-A1 QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES CYP1A1, CYP3A7, CYP1A2 TSHR 2697/4885CTSL 2222/4885CTSB 2327/4885

“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.