SCHEMBL5495350

SCHEMBL5495350

CCOC(=O)C(C)(C)Oc1ccccc1CN

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 9/20 0.53
PPARA Q07869 4/20 0.49
TSHR P16473 2/20 0.49
ABCB11 O95342 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
HTR2A P28223 1/20 0.49
PMP22 Q01453 1/20 0.49
PPARG P37231 3/20 0.42
PIN1 Q13526 1/20 0.41
MMP8 P22894 1/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37

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
SCHEMBL4681650 0.87 FBP1 (0.54) FBP1PPARATSHRABCB11CYP1A2
SCHEMBL4685610 0.85 FBP1 (0.53) FBP1PPARATSHRABCB11CYP1A2
SCHEMBL6081047 0.84 FBP1 (0.52) FBP1PPARATSHRABCB11CYP1A2
SCHEMBL3284352 0.84 FBP1 (0.52) FBP1PPARATSHRABCB11CYP1A2
SCHEMBL3484624 0.83 FBP1 (0.51) FBP1PPARATSHRABCB11CYP1A2
SCHEMBL5794671 0.81 KDM4E (0.55) PPARACYP1A2CYP3A4PPARGMEN1
SCHEMBL4111678 0.81 FBP1 (0.58) FBP1PPARATSHRABCB11CYP1A2
SCHEMBL12670823 0.80 FBP1 (0.56) FBP1PPARATSHRABCB11CYP1A2
SCHEMBL4423002 0.79 PPARA (0.59) FBP1PPARATSHRABCB11CYP1A2
SCHEMBL14092161 0.79 FBP1 (0.55) FBP1PPARATSHRABCB11CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070167628-A1 Thiazole-2-carboxamide derivatives for use as hippar agonists in the treatment of i.a. dyslipidemia SMITHKLINE BEECHAM CORPORATION 2007-07-19 US disclosed
US-20060079696-A1 Substituted compounds derived from N-(benzyl)phenylacetamide, preparation and uses GENFIT (FR) 2006-04-13 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-20060079696-A1 Substituted compounds derived from N-(benzyl)phenylacetamide, preparation and uses AADAC, NAT1, PARN FBP1 2946/4885PPARA 425/4885TSHR 4628/4885
US-20070167628-A1 Thiazole-2-carboxamide derivatives for use as hippar agonists in the treatment of i.a. dyslipidemia GPR119, INSR, HCAR2 FBP1 2419/4885PPARA 10/4885TSHR 140/4885

“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.