SCHEMBL1120082

SCHEMBL1120082

CCOC(=O)c1csc(C2CCN(C(=O)Cn3nc(C(F)(F)F)cc3C)CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
CCR1 P32246 1/20 0.45
HPGD P15428 2/20 0.45
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TPH1 P17752 2/20 0.42
TP53 P04637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PPARG P37231 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
CASP8 Q14790 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL1120045 0.91 GAA (0.47) GAACCR1HPGDLMNAALDH1A1
SCHEMBL20727027 0.89 POLB (0.44) GAACCR1HPGDALDH1A1TPH1
SCHEMBL2509441 0.89 GAA (0.50) GAACCR1HPGDLMNATP53
SCHEMBL121172 0.89 GAA (0.50) GAACCR1LMNAALDH1A1TP53
SCHEMBL8512452 0.88 GAA (0.49) GAACCR1LMNATP53L3MBTL1
SCHEMBL1879570 0.88 GAA (0.49) GAACCR1HPGDLMNATP53
SCHEMBL2580001 0.88 GAA (0.49) GAACCR1LMNAALDH1A1TP53
SCHEMBL1120281 0.88 GAA (0.49) GAACCR1HPGDLMNAALDH1A1
SCHEMBL1765093 0.88 CCR1 (0.42) GAACCR1HPGDALDH1A1TPH1
SCHEMBL12186082 0.88 GAA (0.48) GAACCR1HPGDLMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101228156-B Fungicidal carboxamides DU PONT 2012-07-18 CN claimed
WO-2023098738-A1 COMPOUND CONTAINING OXADIAZOLE STRUCTURE AND PREPARATION METHOD THEREFOR AND USE THEREOF, AND FUNGICIDE 江苏中旗科技股份有限公司 2023-06-08 WO disclosed
US-20150237859-A1 Thiazol-4-Carboxylic Acid Esters and Thioesters as Plant Protection Agents BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-27 US disclosed
US-9029549-B2 Thiazol-4-carboxylic acid esters and thioesters as plant protection agents BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-05-12 US disclosed
EP-2121660-B1 FUNGICIDAL AMIDES DU PONT (US) 2014-12-31 EP disclosed
EP-2643312-B1 MICROBICIDAL HETEROCYCLES SYNGENTA PARTICIPATIONS AG (CH) 2014-09-10 EP disclosed
US-20140243371-A1 MICROBIOCIDAL PYRAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2014-08-28 US disclosed
EP-2768828-A1 MICROBIOCIDAL PYRAZOLE DERIVATIVES Syngenta Participations AG (CH) 2014-08-27 EP disclosed
CN-103889980-A Microbiocidal pyrazole derivatives SYNGENTA PARTICIPATIONS AG 2014-06-25 CN disclosed
US-8748431-B2 Microbicidal heterocycles SYNGENTA PARTICIPATIONS AG (CH) 2014-06-10 US disclosed
US-20110105429-A1 Thiazole-4-Carboxylic Acid Esters and Thioesters as Plant Protection Agents BAYER CROPSCIENCE AG (DE) 2011-05-05 US disclosed
WO-2011018401-A1 MICROBIOCIDAL HETEROCYCLES SYNGENTA PARTICIPATIONS AG (CH) 2011-02-17 WO disclosed
EP-2280965-A1 THIAZOL-4-CARBOXYLIC ACID ESTERS AND THIOESTERS AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE AG (DE) 2011-02-09 EP disclosed
US-20100004288-A1 FUNGICIDAL AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-01-07 US disclosed
EP-2121660-A2 FUNGICIDAL AMIDES E. I. Du Pont de Nemours and Company (US) 2009-11-25 EP disclosed
WO-2009132785-A1 THIAZOL-4-CARBOXYLIC ACID ESTERS AND THIOESTERS AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT 2009-11-05 WO disclosed
WO-2008091594-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 WO disclosed
WO-2008091580-A2 FUNGICIDAL AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 WO disclosed
EP-1948649-A2 FUNGICIDAL CARBOXAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-30 EP disclosed
WO-2007014290-A2 FUNGICIDAL CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-02-01 WO 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-20140243371-A1 MICROBIOCIDAL PYRAZOLE DERIVATIVES ARG1, ARG2, NOX3 GAA 2496/4885CCR1 529/4885HPGD 773/4885
US-20100004288-A1 FUNGICIDAL AMIDES NAT1, NOX1, Q6ZSR9 GAA 90/4885CCR1 1678/4885HPGD 1589/4885
US-20110105429-A1 Thiazole-4-Carboxylic Acid Esters and Thioesters as Plant Protection Agents ACOT7, LYPLA1, PPT1 GAA 502/4885CCR1 2014/4885HPGD 3990/4885
US-20150237859-A1 Thiazol-4-Carboxylic Acid Esters and Thioesters as Plant Protection Agents LYPLA1, ACOT7, PPT1 GAA 410/4885CCR1 1871/4885HPGD 3984/4885

“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.