SCHEMBL1120045

SCHEMBL1120045

CCOC(=O)c1csc(C2CCCN(C(=O)Cn3nc(C(F)(F)F)cc3C)C2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.47
HPGD P15428 3/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 2/20 0.43
CCR1 P32246 1/20 0.41
TPH1 P17752 2/20 0.41
POLB P06746 1/20 0.40
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
KDM4E B2RXH2 3/20 0.37
TP53 P04637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CASP3 P42574 1/20 0.36
CASP7 P55210 1/20 0.36
CASP8 Q14790 1/20 0.36
MEN1 O00255 1/20 0.36
RGS12 O14924 1/20 0.36
MAPT P10636 1/20 0.36
G6PD P11413 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
SCHEMBL15446674 0.92 GAA (0.48) GAAHPGDLMNAALDH1A1CCR1
SCHEMBL1120082 0.91 GAA (0.47) GAAHPGDLMNAALDH1A1CCR1
SCHEMBL1119978 0.90 GAA (0.50) GAAHPGDLMNAALDH1A1CCR1
SCHEMBL12636326 0.85 KDM4E (0.45) GAATPH1NR1H2NR1H3KDM4E
SCHEMBL1119980 0.85 GAA (0.48) GAAHPGDLMNAALDH1A1CCR1
SCHEMBL1878217 0.84 CCR1 (0.46) CCR1CYP2C19
SCHEMBL1120281 0.81 GAA (0.49) GAAHPGDLMNAALDH1A1CCR1
SCHEMBL20727027 0.81 POLB (0.44) GAAHPGDALDH1A1CCR1TPH1
SCHEMBL2579871 0.80 CCR1 (0.52) GAAHPGDLMNAALDH1A1CCR1
SCHEMBL2509441 0.80 GAA (0.50) GAAHPGDLMNACCR1POLB

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 410/4885HPGD 3984/4885LMNA 3375/4885
US-20110105429-A1 Thiazole-4-Carboxylic Acid Esters and Thioesters as Plant Protection Agents ACOT7, LYPLA1, PPT1 GAA 502/4885HPGD 3990/4885LMNA 3382/4885
US-20150237859-A1 Thiazol-4-Carboxylic Acid Esters and Thioesters as Plant Protection Agents LYPLA1, ACOT7, PPT1 GAA 410/4885HPGD 3984/4885LMNA 3375/4885

“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.