SCHEMBL1120293

SCHEMBL1120293

Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C(=O)SC3CCCCC3)cs2)CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
CCR1 P32246 1/20 0.41
LMNA P02545 2/20 0.37
POLB P06746 2/20 0.35
TP53 P04637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
SPR P35270 1/20 0.34
CXCR3 P49682 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 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
SCHEMBL2509441 0.87 GAA (0.50) GAACCR1LMNAPOLBTP53
SCHEMBL121172 0.87 GAA (0.50) GAACCR1LMNAPOLBTP53
SCHEMBL1044110 0.87 GAA (0.49) GAACCR1LMNAPOLBTP53
SCHEMBL1879570 0.86 GAA (0.49) GAACCR1LMNAPOLBTP53
SCHEMBL8512452 0.86 GAA (0.49) GAACCR1LMNAPOLBTP53
SCHEMBL2580001 0.86 GAA (0.49) GAACCR1LMNAPOLBTP53
SCHEMBL1120281 0.86 GAA (0.49) GAACCR1LMNAPOLBTP53
SCHEMBL12186082 0.85 GAA (0.48) GAACCR1LMNAPOLBTP53
SCHEMBL1879572 0.85 GAA (0.48) GAACCR1LMNAPOLBTP53
SCHEMBL12475143 0.84 GAA (0.48) GAACCR1LMNAPOLBTP53

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 8 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-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-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 (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 GAA 410/4885CCR1 1871/4885LMNA 3375/4885
US-20110105429-A1 Thiazole-4-Carboxylic Acid Esters and Thioesters as Plant Protection Agents ACOT7, LYPLA1, PPT1 GAA 502/4885CCR1 2014/4885LMNA 3382/4885
US-20150237859-A1 Thiazol-4-Carboxylic Acid Esters and Thioesters as Plant Protection Agents LYPLA1, ACOT7, PPT1 GAA 410/4885CCR1 1871/4885LMNA 3375/4885

“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.