SCHEMBL1120080

SCHEMBL1120080

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
PKM P14618 1/20 0.37
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
KCNJ6 P48051 2/20 0.36
KCNJ5 P48544 2/20 0.36
KCNJ3 P48549 2/20 0.36
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
HPGD P15428 2/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
DPP7 Q9UHL4 2/20 0.34
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 2/20 0.33
NPC1 O15118 1/20 0.33

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 0.85 MAPT (0.39) KDM4EPKMALDH1A1MAPTMEN1
SCHEMBL1119997 0.81 GRN (0.39) KDM4EPKMALDH1A1GAAMAPT
SCHEMBL15723698 0.79 CYP3A4 (0.37) KDM4EALDH1A1GAAMAPTMEN1
SCHEMBL1120194 0.77 KDM4E (0.38) KDM4EPKMALDH1A1MAPTLMNA
SCHEMBL15484996 0.75 KDM4E (0.46) KDM4EALDH1A1GAAMAPTMEN1
SCHEMBL1186768 0.74 MAPT (0.40) KDM4EPKMALDH1A1MAPTMEN1
SCHEMBL1877443 0.74 LMNA (0.44) KDM4EPKMALDH1A1GAAKCNJ6
SCHEMBL14487840 0.72 IDH1 (0.39) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL15446684 0.71 PKM (0.36) PKMALDH1A1GAAKCNJ6KCNJ5
SCHEMBL26033956 0.71 CYP3A4 (0.36) PKMKCNJ6KCNJ5KCNJ3MAPT

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 1123/4885PKM 2277/4885ALDH1A1 459/4885
US-20150237859-A1 Thiazol-4-Carboxylic Acid Esters and Thioesters as Plant Protection Agents LYPLA1, ACOT7, PPT1 KDM4E 1527/4885PKM 1953/4885ALDH1A1 436/4885

“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.