SCHEMBL4521865

SCHEMBL4521865

CC(C)(C)OC(=O)NC(CCC(=O)c1cc(F)cc(F)c1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.46
PPARA Q07869 11/20 0.46
PPARG P37231 10/20 0.46
PPARD Q03181 2/20 0.46
CTSS P25774 4/20 0.43
CTSK P43235 3/20 0.43
PTPN1 P18031 1/20 0.41
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
IDO1 P14902 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 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
SCHEMBL4521862 1.00 ACE (0.46) ACEPPARAPPARGPPARDCTSS
SCHEMBL20835625 0.92 GRN (0.48) ACEPPARAPPARGPPARDCTSS
SCHEMBL20835624 0.92 GRN (0.48) ACEPPARAPPARGPPARDCTSS
SCHEMBL4337302 0.89 ACE (0.46) ACEPPARAPPARGPPARDCTSS
SCHEMBL4337305 0.89 ACE (0.46) ACEPPARAPPARGPPARDCTSS
SCHEMBL4524084 0.88 CTSS (0.52) ACEPPARAPPARGPPARDCTSS
SCHEMBL4524077 0.88 CTSS (0.52) ACEPPARAPPARGPPARDCTSS
SCHEMBL28674972 0.87 ACE (0.43) ACEPPARAPPARGPPARDCTSS
SCHEMBL932510 0.87 ACE (0.43) ACEPPARAPPARGPPARDCTSS
SCHEMBL2585420 0.87 ALDH1A1 (0.51) ACEPPARAPPARGCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109476639-B Pyrrolidine derivatives 橘生药品工业股份有限公司 2021-02-26 CN disclosed
EP-1953158-B1 BICYCLIC CINNAMIDE COMPOUND EISAI R&D MAN CO LTD (JP) 2012-09-12 EP disclosed
US-20090181945-A1 TWO CYCLIC CINNAMIDE COMPOUND KIMURA TEIJI 2009-07-16 US disclosed
EP-1953158-A1 BICYCLIC CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2008-08-06 EP disclosed
US-20070117839-A1 Two cyclic cinnamide compound EISAI R&D MANAGEMENT CO., LTD. 2007-05-24 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 (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-20090181945-A1 TWO CYCLIC CINNAMIDE COMPOUND APP, BACE1, PSEN1 ACE 738/4885PPARA 1582/4885PPARG 2812/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 ACE 738/4885PPARA 1582/4885PPARG 2812/4885

“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.