SCHEMBL400773

SCHEMBL400773

CN(C)C(=O)c1cc(CCC(=O)O)ccc1NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.55
PPARG P37231 2/20 0.55
NR1H4 Q96RI1 2/20 0.55
PPARD Q03181 1/20 0.55
HSPH1 Q92598 1/20 0.51
MTTP P55157 10/20 0.50
FFAR1 O14842 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48
APOB P04114 2/20 0.46
KLRK1 P26718 3/20 0.46
MICA Q29983 3/20 0.46
RAET1L Q5VY80 3/20 0.46
TACR1 P25103 1/20 0.45

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
SCHEMBL399742 0.95 MTTP (0.49) PPARAPPARGNR1H4PPARDHSPH1
SCHEMBL402136 0.91 MTTP (0.48) PPARAPPARGNR1H4PPARDHSPH1
SCHEMBL2597850 0.91 PPARG (0.53) PPARAPPARGNR1H4PPARDMTTP
SCHEMBL403325 0.90 MTTP (0.47) PPARAPPARGNR1H4PPARDHSPH1
SCHEMBL401790 0.89 MTTP (0.47) PPARAPPARGNR1H4PPARDHSPH1
SCHEMBL402135 0.88 MTTP (0.51) MTTPAPOBKLRK1MICARAET1L
SCHEMBL13580512 0.85 MTTP (0.50) PPARAPPARGNR1H4PPARDMTTP
SCHEMBL401451 0.84 MTTP (0.47) MTTPAPOBKLRK1MICARAET1L
SCHEMBL14031471 0.84 KLRK1 (0.52) MTTPAPOBKLRK1MICARAET1L
SCHEMBL402457 0.84 MTTP (0.48) PPARAPPARGNR1H4PPARDMTTP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101774-B2 Ester derivatives and medicinal use thereof JAPAN TOBACCO INC. (JP) 2012-01-24 US disclosed
EP-1803452-A1 ESTER DERIVATIVE AND PHARMACEUTICAL USE THEREOF Japan Tobacco, Inc. (JP) 2007-07-04 EP disclosed
US-20060089392-A1 Ester derivatives and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-04-27 US 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 (1 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-20060089392-A1 Ester derivatives and medicinal use thereof MTTP, CETP, LIPA PPARA 119/4885PPARG 322/4885NR1H4 255/4885

“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.