SCHEMBL1120194

SCHEMBL1120194

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.35
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
KLKB1 P03952 1/20 0.34
RAB9A P51151 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
PKM P14618 1/20 0.34
ALPI P09923 1/20 0.34

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
SCHEMBL2796935 0.91 MAPT (0.39) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL1120262 0.90 KDM4E (0.36) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL1119997 0.90 GRN (0.39) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL1120112 0.85 GRN (0.37) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL15484996 0.84 KDM4E (0.46) KDM4EALDH1A1HPGDLMNAPOLB
SCHEMBL12859148 0.80 LMNA (0.31) KDM4ELMNA
SCHEMBL1120063 0.80 KLKB1 (0.36) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL12859127 0.79 MAP3K12 (0.38) KDM4EALDH1A1LMNATSHRMAPT
SCHEMBL14487490 0.78 CRACR2A (0.44) POLB
SCHEMBL1120080 0.77 KDM4E (0.37) KDM4EALDH1A1HPGDMAPK1SMN1; 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 KDM4E 1123/4885ALDH1A1 459/4885HPGD 3990/4885
US-20150237859-A1 Thiazol-4-Carboxylic Acid Esters and Thioesters as Plant Protection Agents LYPLA1, ACOT7, PPT1 KDM4E 1527/4885ALDH1A1 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.