SCHEMBL1120213

SCHEMBL1120213

Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C(=O)Oc3cccc4ccccc34)cs2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.43
GAA P10253 2/20 0.41
POLB P06746 2/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 2/20 0.37
TPH1 P17752 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK14 Q16539 1/20 0.35
FAAH O00519 1/20 0.34
PPARG P37231 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 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
SCHEMBL1119911 0.92 FAAH (0.34) CCR1TSHRKDM4ETPH1IRAK4
SCHEMBL15442697 0.87 MAPK14 (0.36) TSHRKDM4ETPH1IRAK4ALDH1A1
SCHEMBL1120278 0.86 GAA (0.42) CCR1GAAPOLBTSHRKDM4E
SCHEMBL1120281 0.84 GAA (0.49) CCR1GAAPOLBTSHRKDM4E
SCHEMBL1120082 0.84 GAA (0.47) CCR1GAAKDM4ETPH1ALDH1A1
SCHEMBL20727027 0.84 POLB (0.44) CCR1GAAPOLBTSHRKDM4E
SCHEMBL1765093 0.83 CCR1 (0.42) CCR1GAAPOLBTSHRKDM4E
SCHEMBL2599385 0.83 GAA (0.46) CCR1GAAPOLBTSHRKDM4E
SCHEMBL1774525 0.82 GAA (0.43) CCR1GAAPOLBTSHRKDM4E
SCHEMBL12186082 0.82 GAA (0.48) CCR1GAAPOLBTSHRKDM4E

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 11 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
WO-2011051243-A1 ACTIVE COMPOUND COMBINATIONS BAYER CROPSCIENCE AG (DE) 2011-05-05 WO 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 CCR1 1486/4885GAA 90/4885POLB 4252/4885
US-20140031553-A1 Thiazol-4-Carboxylic Acid Esters and Thioesters as Plant Protection Agents LYPLA1, ACOT7, PPT1 CCR1 1871/4885GAA 410/4885POLB 4848/4885
US-20110105429-A1 Thiazole-4-Carboxylic Acid Esters and Thioesters as Plant Protection Agents ACOT7, LYPLA1, PPT1 CCR1 2014/4885GAA 502/4885POLB 4840/4885
US-20150237859-A1 Thiazol-4-Carboxylic Acid Esters and Thioesters as Plant Protection Agents LYPLA1, ACOT7, PPT1 CCR1 1871/4885GAA 410/4885POLB 4848/4885

“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.