SCHEMBL2597850

SCHEMBL2597850

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.53
PPARD Q03181 1/20 0.53
PPARA Q07869 1/20 0.53
NR1H4 Q96RI1 1/20 0.53
MTTP P55157 12/20 0.51
PSEN1 P49768 1/20 0.50
PSEN2 P49810 1/20 0.50
APH1B Q8WW43 1/20 0.50
NCSTN Q92542 1/20 0.50
APH1A Q96BI3 1/20 0.50
PSENEN Q9NZ42 1/20 0.50
APOB P04114 2/20 0.47
KLRK1 P26718 3/20 0.47
MICA Q29983 3/20 0.47
RAET1L Q5VY80 3/20 0.47
TACR1 P25103 1/20 0.46
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 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
SCHEMBL400773 0.91 PPARA (0.55) PPARGPPARDPPARANR1H4MTTP
SCHEMBL13580512 0.91 MTTP (0.50) PPARGPPARDPPARANR1H4MTTP
SCHEMBL402135 0.90 MTTP (0.51) MTTPAPOBKLRK1MICARAET1L
SCHEMBL402457 0.89 MTTP (0.48) PPARGPPARDPPARANR1H4MTTP
SCHEMBL13351334 0.89 MEN1 (0.45) PPARGPPARDPPARANR1H4MTTP
SCHEMBL399742 0.89 MTTP (0.49) PPARGPPARDPPARANR1H4MTTP
SCHEMBL2597937 0.89 PSEN1 (0.48) PPARGPPARDPPARANR1H4MTTP
SCHEMBL402136 0.87 MTTP (0.48) PPARGPPARDPPARANR1H4MTTP
SCHEMBL2597716 0.86 PSEN1 (0.46) PPARGPPARDPPARANR1H4MTTP
SCHEMBL3723560 0.86 MTTP (0.51) MTTPKLRK1MICARAET1L

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571860-A1 2-PHENYL BENZOYLAMIDES Pfizer Inc (US) 2013-03-27 EP disclosed
US-20130072519-A1 2-PHENYL BENZOYLAMIDES CONN EDWARD LEE (US) 2013-03-21 US disclosed
US-20120302636-A1 METHOD OF TREATING A DISORDER ASSOCIATED WITH MTP AKROS PHARMA INC. 2012-11-29 US disclosed
WO-2011145022-A1 2-PHENYL BENZOYLAMIDES PFIZER INC. (US) 2011-11-24 WO disclosed
WO-2010148179-A1 METHOD OF TREATING A DISORDER ASSOCIATED WITH MTP JAPAN TOBACCO INC. (JP) 2010-12-23 WO disclosed
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. 2010-06-24 US disclosed
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. 2010-06-24 US disclosed
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. 2010-06-24 US disclosed
US-7625948-B2 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2009-12-01 US disclosed
US-7625948-B2 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2009-12-01 US disclosed
US-7625948-B2 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2009-12-01 US disclosed
US-20050075367-A1 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-04-07 US disclosed
EP-1479666-A1 ESTER COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-11-24 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 (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-20050075367-A1 Ester compound and medicinal use thereof LIPC, CES1, MTTP PPARG 602/4885PPARD 393/4885PPARA 230/4885
US-20120302636-A1 METHOD OF TREATING A DISORDER ASSOCIATED WITH MTP MTPN, APOB, HMGCR PPARG 158/4885PPARD 262/4885PPARA 150/4885
US-20130072519-A1 2-PHENYL BENZOYLAMIDES APOB, MTTP, HADHB PPARG 570/4885PPARD 516/4885PPARA 351/4885
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF LIPC, CES1, MTTP PPARG 458/4885PPARD 359/4885PPARA 182/4885

“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.