SCHEMBL1451872

SCHEMBL1451872

COC(=O)CCCOc1cc(C(F)(F)F)ccc1C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.53
PPARG P37231 2/20 0.49
PPARD Q03181 2/20 0.49
PPARA Q07869 2/20 0.49
MAPT P10636 1/20 0.47
KDM4E B2RXH2 4/20 0.44
HTT P42858 2/20 0.44
KMT2A Q03164 1/20 0.44
SCN8A Q9UQD0 3/20 0.44
SCN10A Q9Y5Y9 2/20 0.44
MRGPRX4 Q96LA9 2/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
HPGD P15428 3/20 0.43
ALDH1A1 P00352 2/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
USP2 O75604 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 1/20 0.42

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
SCHEMBL12630099 0.88 CFTR (0.57) CFTRPPARGPPARDPPARAKDM4E
SCHEMBL31577730 0.85 CFTR (0.57) CFTRPPARGPPARDPPARAKDM4E
SCHEMBL12824608 0.85 CFTR (0.53) CFTRPPARGPPARDPPARAKDM4E
SCHEMBL24901813 0.79 CFTR (0.67) CFTRMAPTKDM4EKMT2AMRGPRX4
SCHEMBL2931143 0.79 CFTR (0.52) CFTRPPARGPPARDPPARAKDM4E
SCHEMBL2365399 0.79 CFTR (0.52) CFTRMAPTKDM4EHTTKMT2A
SCHEMBL20471847 0.78 CFTR (0.55) CFTRMAPTKDM4EHTTKMT2A
SCHEMBL2006511 0.77 EGFR (0.46) CFTRMAPTKDM4EHTTKMT2A
SCHEMBL953081 0.77 PTGDR2 (0.55) PPARGPPARDPPARAKDM4EPTGDR2
SCHEMBL5943417 0.75 KDM4E (0.73) CFTRMAPTKDM4EKMT2AMRGPRX4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1908753-B1 NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE MOCHIDA PHARM CO LTD (JP) 2014-12-17 EP disclosed
US-8383839-B2 Heterocyclidene acetamide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-02-26 US disclosed
US-8383839-B2 Heterocyclidene acetamide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-02-26 US disclosed
CN-101228131-B Novel heterocyclylideneacetamide derivatives MOCHIDA PHARM CO LTD 2013-01-09 CN disclosed
US-20110112071-A1 NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-05-12 US disclosed
US-7910751-B2 Heterocyclidene acetamide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-03-22 US disclosed
US-20080287428-A1 Novel Heterocyclidene Acetamide Derivative MOCHIDA PHARMACEUTICAL CO.,LTD (JP) 2008-11-20 US disclosed
CN-101228131-A Novel heterocyclylideneacetamide derivatives MOCHIDA PHARM CO LTD (JP) 2008-07-23 CN disclosed
EP-1908753-A1 NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2008-04-09 EP 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 (2 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-20080287428-A1 Novel Heterocyclidene Acetamide Derivative TRPV1, TRPV3, TRPA1 CFTR 1050/4885PPARG 1383/4885PPARD 1308/4885
US-20110112071-A1 NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE TRPV1, TRPV3, TRPA1 CFTR 1050/4885PPARG 1383/4885PPARD 1308/4885

“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.