SCHEMBL1119946

SCHEMBL1119946

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
PPARG P37231 1/20 0.40
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
CASP8 Q14790 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
THRB P10828 1/20 0.37
TPH1 P17752 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL15446675 0.91 ALDH1A1 (0.43) GAAALDH1A1HPGDPPARGHSD17B10
SCHEMBL13228438 0.88 ALDH1A1 (0.35) GAAALDH1A1HPGDPPARGHSD17B10
SCHEMBL1119900 0.88 ALDH1A1 (0.36) GAAALDH1A1HPGDPPARGHSD17B10
SCHEMBL1120023 0.86 ALDH1A1 (0.34) GAAALDH1A1HPGDPPARGHSD17B10
SCHEMBL1765535 0.86 PPARG (0.40) GAAALDH1A1HPGDPPARGKDM4E
SCHEMBL1765111 0.85 PPARG (0.35) GAAALDH1A1HPGDPPARGCASP3
SCHEMBL1765041 0.83 PPARG (0.44) GAAALDH1A1PPARGKDM4ESMN1; SMN2
SCHEMBL1119901 0.83 ALDH1A1 (0.35) GAAALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL441653 0.82 ALDH1A1 (0.43) GAAALDH1A1HPGDKDM4EHSD17B10
SCHEMBL1120218 0.82 ALDH1A1 (0.35) ALDH1A1PPARGKDM4EHSD17B10MEN1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-20140031553-A1 Thiazol-4-Carboxylic Acid Esters and Thioesters as Plant Protection Agents BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-30 US disclosed
US-8569509-B2 Thiazole-4-carboxylic acid esters and thioesters as plant protection agents BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-29 US disclosed
US-8569509-B2 Thiazole-4-carboxylic acid esters and thioesters as plant protection agents BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-29 US disclosed
EP-2280965-B1 THIAZOL-4-CARBOXYLIC ACID ESTERS AND THIOESTERS AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE AG (DE) 2012-08-29 EP disclosed
US-20110105429-A1 Thiazole-4-Carboxylic Acid Esters and Thioesters as Plant Protection Agents BAYER CROPSCIENCE AG (DE) 2011-05-05 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
EP-2280965-A1 THIAZOL-4-CARBOXYLIC ACID ESTERS AND THIOESTERS AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE AG (DE) 2011-02-09 EP disclosed
WO-2009132785-A1 THIAZOL-4-CARBOXYLIC ACID ESTERS AND THIOESTERS AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT 2009-11-05 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 (3 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-20140031553-A1 Thiazol-4-Carboxylic Acid Esters and Thioesters as Plant Protection Agents LYPLA1, ACOT7, PPT1 GAA 410/4885ALDH1A1 436/4885HPGD 3984/4885
US-20110105429-A1 Thiazole-4-Carboxylic Acid Esters and Thioesters as Plant Protection Agents ACOT7, LYPLA1, PPT1 GAA 502/4885ALDH1A1 459/4885HPGD 3990/4885
US-20150237859-A1 Thiazol-4-Carboxylic Acid Esters and Thioesters as Plant Protection Agents LYPLA1, ACOT7, PPT1 GAA 410/4885ALDH1A1 436/4885HPGD 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.