SCHEMBL559559

SCHEMBL559559

c1csc(Cc2cccs2)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.56
ADRA1D P25100 2/20 0.52
ADRA2A P08913 3/20 0.48
ADRA2B P18089 3/20 0.48
ADRA2C P18825 3/20 0.48
CYP2C19 P33261 1/20 0.48
LMNA P02545 2/20 0.47
TSHR P16473 1/20 0.47
CYP2C9 P11712 1/20 0.47
HTT P42858 1/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
USP2 O75604 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL19129346 0.89 TAAR1 (0.48) TAAR1ADRA1DADRA2AADRA2BADRA2C
SCHEMBL30505689 0.84 CYP2C9 (0.50) TAAR1ADRA1DADRA2AADRA2BADRA2C
Acetic Acid SCHEMBL11332370 0.83 CYP2C19 (0.57) CYP2C19LMNACYP2C9POLBTDP1
SCHEMBL3159038 0.82 ADRA2A (0.61) TAAR1ADRA2AADRA2BADRA2CCYP2C19
SCHEMBL45228 0.82 LMNA (0.50) TAAR1ADRA1DCYP2C19LMNATSHR
Glycolic Acid SCHEMBL9067480 0.82 CYP2C19 (0.55) CYP2C19LMNACYP2C9HTTPOLB
SCHEMBL2030841 0.81 TAAR1 (0.71) TAAR1ADRA2AADRA2BADRA2CCYP2C19
SCHEMBL21386931 0.80 PRMT6 (0.48) TAAR1ADRA1DLMNATSHRCYP2C9
SCHEMBL920428 0.80 ADRA1D (0.43) TAAR1ADRA1DADRA2AADRA2BADRA2C
SCHEMBL8879459 0.80 TAAR1 (0.41) TAAR1ADRA1DADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117835718-A White light organic electroluminescent composition and application thereof 深圳大学 2024-04-05 CN claimed
US-10903109-B2 Methods of forming high aspect ratio openings and methods of forming high aspect ratio features MICRON TECHNOLOGY, INC. (US) 2021-01-26 US claimed
JP-4838934-B2 2011-12-14 JP claimed
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 US claimed
EP-1042291-B1 ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE CO CHEM PHARM FAB (DE) 2005-07-13 EP claimed
EP-1042291-A1 ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS Klinge Pharma GmbH (DE) 2000-10-11 EP claimed
WO-1999031064-A1 ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE PHARMA GMBH (DE) 1999-06-24 WO claimed
EP-0352612-B1 PROCESS FOR THE PRODUCTION OF A PRINTING PLATE M.A.N.-ROLAND Druckmaschinen Aktiengesellschaft (DE) 1993-03-10 EP claimed
US-4092306-A Oxidation of hydrazones to the corresponding diazo compounds in the presence of a phase transfer and an oxidation catalyst which is iodine, an iodide or an iodonium salt GLAXO LABORATORIES LIMITED (EN) 1978-05-30 US claimed
CN-117835718-A White light organic electroluminescent composition and application thereof 深圳大学 2024-04-05 CN disclosed
US-20230346766-A1 TIOTROPIUM INHALATION SOLUTION FOR NEBULIZATION WHITEHAWK CAPITAL PARTNERS, LP 2023-11-02 US disclosed
WO-2023285760-A1 COMPOSITION BASED ON (METH)ACRYLATE MONOMERS BOSTIK SA (FR) 2023-01-19 WO disclosed
US-20220363538-A1 HYDROGEN PEROXIDE PRODUCTION METHOD INTERNATIONAL FRONTIER TECHNOLOGY LABORATORY, INC. (JP) 2022-11-17 US disclosed
CN-113493393-A Method for olefin chemoselective monofunctional reaction under base catalysis 南京工业大学 2021-10-12 CN disclosed
WO-1987000678-A1 ELECTRICALLY CONDUCTING POLYMERS SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MA (GB) 1987-01-29 WO disclosed
US-4611032-A DOPED HETEROAROMATIC 5-MEMBER RING POLYMERS Chatzitheodorou, Georg (DE) 1986-09-09 US disclosed
US-4501903-A PASSING RAPID STREAM OF GASEOUS HYDROGEN CHLORIDE IN REACTION MIXTURE OF FORMALDEHYDE THIOPHENE AND AQUEOUS HYDROGENCHLORIDE STAUFFER CHEMICAL COMPANY (US) 1985-02-26 US disclosed
EP-0097893-A2 Oxidizing polymerisation with NO+ or NO2+ BAYER AG (DE) 1984-01-11 EP disclosed
US-4415566-A ANTIBIOTICS; BACTERIOSTATS; BACTERICIDES BOEHRINGER INGELHEIM GMBH (DE) 1983-11-15 US disclosed
US-4085109-A Pyridine sulfur flavoring agents FIRMENICH & CIE (CH) 1978-04-18 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 (2 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-20080188528-A1 Modulators of C3a receptor and methods of use thereof C3AR1, C5, C5AR1 TAAR1 718/4885ADRA1D 511/4885ADRA2A 199/4885
US-20230346766-A1 TIOTROPIUM INHALATION SOLUTION FOR NEBULIZATION IL5, CFTR, THOP1 TAAR1 1444/4885ADRA1D 153/4885ADRA2A 261/4885

“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.