SCHEMBL313040

SCHEMBL313040

CC(C)c1csc(C(=O)O)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
GRM1 Q13255 1/20 0.38
TRPA1 O75762 1/20 0.37
HCAR3 P49019 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
PLA2G4A P47712 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
CSNK2A3 Q8NEV1 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
CCR4 P51679 1/20 0.34
UCHL1 P09936 1/20 0.34
NTRK1 P04629 1/20 0.34
FABP4 P15090 2/20 0.33
FABP5 Q01469 2/20 0.33
HAO1 Q9UJM8 2/20 0.33

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
SCHEMBL3678752 0.98 CYP1A2 (0.38) CYP1A2CYP2D6CYP2C9GRM1TRPA1
SCHEMBL27588098 0.86 CYP1A2 (0.39) CYP1A2CYP2D6CYP2C9GRM1TRPA1
SCHEMBL10247168 0.84 ALDH1A1 (0.39) CYP1A2CYP2D6CYP2C9GRM1TRPA1
SCHEMBL313442 0.82 CYP1A2 (0.38) CYP1A2CYP2D6CYP2C9GRM1TRPA1
SCHEMBL2624132 0.82 AURKA (0.39) CYP1A2CYP2D6CYP2C9GRM1TRPA1
SCHEMBL13147619 0.82 CYP1A2 (0.38) CYP1A2CYP2D6CYP2C9GRM1TRPA1
Potassium Ion SCHEMBL22518563 0.81 CYP1A2 (0.37) CYP1A2CYP2D6CYP2C9GRM1TRPA1
SCHEMBL2628929 0.79 CYP1A2 (0.42) CYP1A2CYP2D6CYP2C9GRM1TRPA1
SCHEMBL26448521 0.79 NTRK1 (0.41) CYP1A2CYP2D6CYP2C9GRM1TRPA1
SCHEMBL12101028 0.77 PLA2G4A (0.47) CYP1A2CYP2D6CYP2C9GRM1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105753809-A Synthesizing method and intermediate of 4-isopropyl-2-thiazole carboxylic acid ethyl ester 上海拓莱化学科技有限公司 2016-07-13 CN claimed
EP-3487856-B1 SUBSTITUTED DIAZAHETERO-BICYCLIC COMPOUNDS AND THEIR USE BAYER AG (DE) 2025-01-22 EP disclosed
EP-3444251-B1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN MA INC (US) 2023-06-07 EP disclosed
US-20210300912-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF Ikena Oncology, Inc. 2021-09-30 US disclosed
US-20210300912-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF Ikena Oncology, Inc. 2021-09-30 US disclosed
WO-2021127302-A1 2-(1H-INDOLE-3-CARBONYL)-THIAZOLE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS FOR THE TREATMENT OF E.G. ANGIOGENESIS IMPLICATED OR INFLAMMATORY DISORDERS Ikena Oncology, Inc. (US) 2021-06-24 WO disclosed
WO-2021127302-A1 2-(1H-INDOLE-3-CARBONYL)-THIAZOLE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS FOR THE TREATMENT OF E.G. ANGIOGENESIS IMPLICATED OR INFLAMMATORY DISORDERS Ikena Oncology, Inc. (US) 2021-06-24 WO disclosed
CN-108084231-B Iridium complex-containing phosphorescent material, preparation and application thereof in beryllium ion detection 安徽工业大学 2020-05-12 CN disclosed
US-10280169-B2 Biaryl bruton's tyrosine kinase inhibitors BIOGEN MA INC. (US) 2019-05-07 US disclosed
EP-3444251-A1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY Biogen MA Inc. (US) 2019-02-20 EP disclosed
US-6867185-B2 Inhibitors of hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-15 US disclosed
EP-1505945-A2 SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2005-02-16 EP disclosed
EP-1455809-A2 INHIBITORS OF HEPATITIS C VIRUS Bristol-Myers Squibb Company (US) 2004-09-15 EP disclosed
WO-2004043339-A2 SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 WO disclosed
WO-2004043339-A2 SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 WO disclosed
US-20040077551-A1 Substituted cycloalkyl P1' hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-04-22 US disclosed
US-20040038872-A1 Inhibitors of hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY 2004-02-26 US disclosed
WO-2003053349-A2 INHIBITORS OF HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 WO disclosed
WO-2003053349-A2 INHIBITORS OF HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 WO disclosed
CN-1398252-A dehydroamino acid compounds HOFFMANN LA ROCHE (CH) 2003-02-19 CN 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 (4 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-20210300912-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 CYP1A2 26/4885CYP2D6 188/4885CYP2C9 254/4885
US-20040038872-A1 Inhibitors of hepatitis C virus HAVCR2, LIPC, ZC3HAV1 CYP1A2 1146/4885CYP2D6 2102/4885CYP2C9 2365/4885
US-10280169-B2 Biaryl bruton's tyrosine kinase inhibitors ABL1, BTK, LYN CYP1A2 2609/4885CYP2D6 3003/4885CYP2C9 2270/4885
US-20040077551-A1 Substituted cycloalkyl P1' hepatitis C virus inhibitors HAVCR2, ANPEP, ENPEP CYP1A2 3833/4885CYP2D6 3996/4885CYP2C9 3923/4885

“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.