SCHEMBL1120130

SCHEMBL1120130

Cc1cc(C)n(C(C)(C)C(=O)O)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
POLB P06746 3/20 0.43
PKM P14618 2/20 0.43
KDM4E B2RXH2 3/20 0.42
APAF1 O14727 1/20 0.42
ATM Q13315 2/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 5/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ENPP3 O14638 1/20 0.39
ALPL P05186 1/20 0.39

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
SCHEMBL2454430 0.76 ALDH1A1 (0.45) LMNAKDM4ETSHRALDH1A1L3MBTL1
SCHEMBL2733622 0.76 ALDH1A1 (0.41) LMNAPOLBPKMKDM4EATM
SCHEMBL1326795 0.71 ATM (0.56) LMNAPOLBPKMKDM4EATM
SCHEMBL3423392 0.70 KDM4E (0.39) LMNAKDM4ETSHRALDH1A1MEN1
SCHEMBL6903297 0.70 ALDH1A1 (0.39) LMNAKDM4ETSHRALDH1A1L3MBTL1
SCHEMBL6453093 0.70 ALDH1A1 (0.39) LMNAKDM4EATMTSHRALDH1A1
SCHEMBL4464474 0.70 ALDH1A1 (0.39) LMNAKDM4ETSHRALDH1A1L3MBTL1
SCHEMBL18773790 0.69 ALDH1A1 (0.39) LMNAKDM4ETSHRALDH1A1L3MBTL1
SCHEMBL14459645 0.69 KDM4E (0.44) LMNAPOLBPKMKDM4EAPAF1
SCHEMBL4457538 0.68 TSHR (0.60) LMNAPOLBKDM4ETSHRALDH1A1

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 LMNA 3375/4885POLB 4848/4885PKM 1953/4885
US-20110105429-A1 Thiazole-4-Carboxylic Acid Esters and Thioesters as Plant Protection Agents ACOT7, LYPLA1, PPT1 LMNA 3382/4885POLB 4840/4885PKM 2277/4885
US-20150237859-A1 Thiazol-4-Carboxylic Acid Esters and Thioesters as Plant Protection Agents LYPLA1, ACOT7, PPT1 LMNA 3375/4885POLB 4848/4885PKM 1953/4885

“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.