SCHEMBL1120133

SCHEMBL1120133

CC(C)(C)c1cc(C(F)(F)C(F)(F)F)[nH]n1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.42
HPGD P15428 3/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
XBP1 P17861 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL1833452 0.85 MCL1 (0.46) MCL1HPGDMEN1USP2TP53
SCHEMBL22327730 0.83 HPGD (0.44) HPGDTSHRMEN1TP53MAPT
SCHEMBL15271218 0.83 MCL1 (0.45) MCL1HPGDMEN1USP2TP53
SCHEMBL1205789 0.81 HPGD (0.46) HPGDTSHRMEN1KMT2A
SCHEMBL28959340 0.79 HPGD (0.44) HPGDTSHRMEN1KMT2A
SCHEMBL28965148 0.79 HPGD (0.44) HPGDTSHRMEN1KMT2A
SCHEMBL20320407 0.77 MCL1 (0.46) MCL1HPGDMEN1USP2TP53
SCHEMBL1120183 0.75 HPGD (0.34) HPGDTSHRTP53ALOX15MAPK1
SCHEMBL24416307 0.75 HPGD (0.42) HPGDTSHR
SCHEMBL13206417 0.75 ALOX15 (0.40) MCL1HPGDTP53ALOX15MAPK1

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 19 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-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-9029549-B2 Thiazol-4-carboxylic acid esters and thioesters as plant protection agents BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-05-12 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-20140031553-A1 Thiazol-4-Carboxylic Acid Esters and Thioesters as Plant Protection Agents BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-30 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
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
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
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 MCL1 4169/4885HPGD 3984/4885TSHR 49/4885
US-20110105429-A1 Thiazole-4-Carboxylic Acid Esters and Thioesters as Plant Protection Agents ACOT7, LYPLA1, PPT1 MCL1 4265/4885HPGD 3990/4885TSHR 64/4885
US-20150237859-A1 Thiazol-4-Carboxylic Acid Esters and Thioesters as Plant Protection Agents LYPLA1, ACOT7, PPT1 MCL1 4169/4885HPGD 3984/4885TSHR 49/4885

“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.