SCHEMBL1120023

SCHEMBL1120023

O=C(OC1CCCCC1)c1csc(C2CCN(C(=O)Cn3nc(C(F)F)cc3C(F)F)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.34
GAA P10253 3/20 0.34
HPGD P15428 3/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PPARG P37231 1/20 0.33
LMNA P02545 2/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 1/20 0.32
BLM P54132 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
MAPT P10636 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
FAAH O00519 2/20 0.30
CPT1A P50416 1/20 0.30
CPT1B Q92523 1/20 0.30

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
SCHEMBL1120079 0.92 ALDH1A1 (0.34) ALDH1A1GAAHPGDKMT2APPARG
SCHEMBL15446675 0.88 ALDH1A1 (0.43) ALDH1A1GAAHPGDKMT2APPARG
SCHEMBL1119900 0.86 ALDH1A1 (0.36) ALDH1A1GAAHPGDKMT2ASMN1; SMN2
SCHEMBL1119946 0.86 GAA (0.45) ALDH1A1GAAHPGDKMT2ASMN1; SMN2
SCHEMBL2591277 0.85 ALDH1A1 (0.33) ALDH1A1GAAHPGDKMT2ASMN1; SMN2
SCHEMBL13228438 0.85 ALDH1A1 (0.35) ALDH1A1GAAHPGDKMT2ASMN1; SMN2
SCHEMBL1120218 0.84 ALDH1A1 (0.35) ALDH1A1KMT2APPARGLMNARAB9A
SCHEMBL440831 0.84 CNR2 (0.38) ALDH1A1HPGDKMT2ALMNARAB9A
SCHEMBL29814837 0.84 FAAH (0.34) ALDH1A1GAAHPGDKMT2ASMN1; SMN2
SCHEMBL1765067 0.84 FAAH (0.34) ALDH1A1GAAHPGDKMT2ASMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124501-A1 Active compound combinations BAYER CROPSCIENCE AG (DE) 2011-05-26 US claimed
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
EP-2280965-B1 THIAZOL-4-CARBOXYLIC ACID ESTERS AND THIOESTERS AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE AG (DE) 2012-08-29 EP disclosed
US-20110124501-A1 Active compound combinations BAYER CROPSCIENCE AG (DE) 2011-05-26 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 (4 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-20110124501-A1 Active compound combinations CYP51A1, CA4, BROX ALDH1A1 240/4885GAA 90/4885HPGD 2474/4885
US-20140031553-A1 Thiazol-4-Carboxylic Acid Esters and Thioesters as Plant Protection Agents LYPLA1, ACOT7, PPT1 ALDH1A1 436/4885GAA 410/4885HPGD 3984/4885
US-20110105429-A1 Thiazole-4-Carboxylic Acid Esters and Thioesters as Plant Protection Agents ACOT7, LYPLA1, PPT1 ALDH1A1 459/4885GAA 502/4885HPGD 3990/4885
US-20150237859-A1 Thiazol-4-Carboxylic Acid Esters and Thioesters as Plant Protection Agents LYPLA1, ACOT7, PPT1 ALDH1A1 436/4885GAA 410/4885HPGD 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.