SCHEMBL4337305

SCHEMBL4337305

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.46
PPARA Q07869 11/20 0.45
PPARG P37231 10/20 0.45
PPARD Q03181 2/20 0.45
PTPN1 P18031 1/20 0.42
CTSS P25774 4/20 0.42
CTSK P43235 3/20 0.41
TRPA1 O75762 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
IDO1 P14902 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
SCHEMBL4337302 1.00 ACE (0.46) ACEPPARAPPARGPPARDPTPN1
SCHEMBL4707727 0.93 ACE (0.44) ACEPPARAPPARGPPARDPTPN1
SCHEMBL4707730 0.93 ACE (0.44) ACEPPARAPPARGPPARDPTPN1
SCHEMBL31470306 0.89 ALDH1A1 (0.40) ACEPPARAPPARGPPARDCTSS
SCHEMBL4521865 0.89 ACE (0.46) ACEPPARAPPARGPPARDPTPN1
SCHEMBL4521862 0.89 ACE (0.46) ACEPPARAPPARGPPARDPTPN1
SCHEMBL4092912 0.88 PPARA (0.49) ACEPPARAPPARGPPARDPTPN1
SCHEMBL4092905 0.88 PPARA (0.49) ACEPPARAPPARGPPARDPTPN1
SCHEMBL4514578 0.88 PPARA (0.49) ACEPPARAPPARGPPARDPTPN1
SCHEMBL2346622 0.87 ALDH1A1 (0.50) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1953158-B1 BICYCLIC CINNAMIDE COMPOUND EISAI R&D MAN CO LTD (JP) 2012-09-12 EP disclosed
US-7618960-B2 Morpholine type cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-17 US disclosed
US-20090181945-A1 TWO CYCLIC CINNAMIDE COMPOUND KIMURA TEIJI 2009-07-16 US disclosed
EP-1953154-A1 MORPHOLINE TYPE CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2008-08-06 EP disclosed
EP-1953158-A1 BICYCLIC CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2008-08-06 EP disclosed
US-20070117798-A1 Morpholine type cinnamide compound EISAI R&D MANAGEMENT CO., LTD. 2007-05-24 US 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 (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-20090181945-A1 TWO CYCLIC CINNAMIDE COMPOUND APP, BACE1, PSEN1 ACE 738/4885PPARA 1582/4885PPARG 2812/4885
US-20070117798-A1 Morpholine type cinnamide compound MLX, XDH, NOX4 ACE 991/4885PPARA 1833/4885PPARG 1492/4885
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.