SCHEMBL1120112

SCHEMBL1120112

CCC(C(=O)O)n1nc(C(C)(C)C)cc1C(F)(F)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRN P28799 5/20 0.37
SORT1 Q99523 5/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 2/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 2/20 0.33
JAK2 O60674 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
MAPK13 O15264 2/20 0.32
MAPK12 P53778 2/20 0.32
MAPK11 Q15759 2/20 0.32
MAPK14 Q16539 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL1120262 0.89 KDM4E (0.36) GRNSORT1KDM4EALDH1A1MAPK1
SCHEMBL1119997 0.89 GRN (0.39) GRNSORT1KDM4EALDH1A1MAPK1
SCHEMBL1120194 0.85 KDM4E (0.38) KDM4EALDH1A1MAPK1HPGDSMN1; SMN2
SCHEMBL2796935 0.81 MAPT (0.39) KDM4EALDH1A1MAPK1HPGDSMN1; SMN2
SCHEMBL1120000 0.74 KDM4E (0.33) GRNSORT1KDM4EALDH1A1MAPK1
SCHEMBL15484996 0.74 KDM4E (0.46) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL1120058 0.73 GRN (0.42) GRNSORT1KDM4EALDH1A1MAPK1
SCHEMBL1120063 0.71 KLKB1 (0.36) GRNSORT1KDM4EALDH1A1MAPK1
SCHEMBL15446682 0.70 GRN (0.39) GRNSORT1KDM4EALDH1A1MAPK1
SCHEMBL1120080 0.70 KDM4E (0.37) KDM4EALDH1A1MAPK1HPGDSMN1; SMN2

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 5 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
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
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 (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-20110105429-A1 Thiazole-4-Carboxylic Acid Esters and Thioesters as Plant Protection Agents ACOT7, LYPLA1, PPT1 GRN 4288/4885SORT1 2035/4885KDM4E 1123/4885
US-20150237859-A1 Thiazol-4-Carboxylic Acid Esters and Thioesters as Plant Protection Agents LYPLA1, ACOT7, PPT1 GRN 4224/4885SORT1 2052/4885KDM4E 1527/4885

“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.