Sugi Predict

Sugi Predict / Compounds / SCHEMBL5100820

SCHEMBL5100820

SCHEMBL5100820

CCOC(=O)C(C)(C)Oc1c(C)cc(/C=N\O)cc1C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 13/20 0.49
▸ PPARA Q07869 3/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ PMP22 Q01453 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PPARG P37231 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ PPARD Q03181 1/20 0.38
▸ PKM P14618 1/20 0.37
▸ CYP2C19 P33261 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
SCHEMBL14414921 1.00 FBP1 (0.49) FBP1PPARACYP1A2CYP3A4ABCB11
SCHEMBL5491062 1.00 FBP1 (0.49) FBP1PPARACYP1A2CYP3A4ABCB11
SCHEMBL814693 0.84 FBP1 (0.49) FBP1PPARACYP1A2CYP3A4ABCB11
SCHEMBL21188213 0.83 FBP1 (0.48) FBP1PPARACYP1A2CYP3A4ABCB11
SCHEMBL1549019 0.83 FBP1 (0.64) FBP1PPARACYP1A2CYP3A4ABCB11
SCHEMBL1549020 0.83 FBP1 (0.64) FBP1PPARACYP1A2CYP3A4ABCB11
SCHEMBL4693314 0.83 FBP1 (0.64) FBP1PPARACYP1A2CYP3A4ABCB11
SCHEMBL21188304 0.81 PPARA (0.51) FBP1PPARACYP1A2CYP3A4ABCB11
SCHEMBL4677745 0.79 PPARA (0.50) FBP1PPARACYP1A2CYP3A4ABCB11
SCHEMBL21016866 0.78 PPARA (0.47) FBP1PPARACYP1A2CYP3A4ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685113-B1 SUBSTITUTED PYRAZOLES AS PPAR AGONISTS SMITHKLINE BEECHAM CORP (US) 2008-07-30 — — EP disclosed
US-20080021030-A1 Substituted Pyrazoles As Ppar Agonists SMITHKLINE BEECHAM CORPORATION 2008-01-24 — — US disclosed
US-20080021030-A1 Substituted Pyrazoles As Ppar Agonists SMITHKLINE BEECHAM CORPORATION 2008-01-24 — — US disclosed
US-20080021030-A1 Substituted Pyrazoles As Ppar Agonists SMITHKLINE BEECHAM CORPORATION 2008-01-24 — — US disclosed
US-20070208021-A1 Phenoxyacetic Acid Derivatives and Drug Comprising The Same DAIICHI PHARMACEUTICAL CO., LTD. 2007-09-06 — — US disclosed
EP-1731513-A1 PHENOXYACETIC ACID DERIVATIVE AND MEDICINE CONTAINING THE SAME DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-13 — — 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 (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-20080021030-A1 Substituted Pyrazoles As Ppar Agonists PPARD, PPARA, PPARG FBP1 1195/4885PPARA 2/4885CYP1A2 206/4885
US-20070208021-A1 Phenoxyacetic Acid Derivatives and Drug Comprising The Same PPARA, PPARG, PPARD FBP1 1961/4885PPARA 1/4885CYP1A2 241/4885

“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.