SCHEMBL4739626

SCHEMBL4739626

CC(=O)c1oc(-c2ccc(C(F)(F)F)cc2)nc1C

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.58
PPARD Q03181 6/20 0.54
PPARG P37231 4/20 0.51
LMNA P02545 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
PPARA Q07869 3/20 0.47
GAA P10253 1/20 0.47
PTPN1 P18031 2/20 0.46
MAPT P10636 1/20 0.46
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
THRB P10828 1/20 0.43
NOTUM Q6P988 1/20 0.43

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
SCHEMBL6615850 0.90 IKBKB (0.49) IKBKBPPARDPPARGLMNAKDM4E
SCHEMBL4473430 0.86 PPARD (0.55) IKBKBPPARDPPARGLMNAKDM4E
SCHEMBL4467472 0.85 ALDH1A1 (0.69) IKBKBPPARDPPARGLMNAKDM4E
SCHEMBL3772666 0.82 MAPT (0.55) IKBKBPPARDPPARGLMNAKDM4E
SCHEMBL4473575 0.80 PPARD (0.50) IKBKBPPARDPPARGLMNAKDM4E
SCHEMBL5220836 0.80 PPARD (0.53) IKBKBPPARDPPARGKDM4EALDH1A1
SCHEMBL20646882 0.80 GAA (0.69) IKBKBPPARGLMNAKDM4EALDH1A1
SCHEMBL6224426 0.79 PPARD (0.60) IKBKBPPARDPPARGLMNAKDM4E
SCHEMBL27912439 0.79 IKBKB (0.51) IKBKBPPARDPPARGKDM4EALDH1A1
SCHEMBL4473570 0.79 PPARD (0.51) IKBKBPPARDPPARGLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008087367-A2 SUBSTITUTED (PHENYLTHIAZOLYL)-PHENYL-PROPAN-1-ONE AND (PHENYLOXAZODYL)-PHENYL-PROPAN-1-ONE DERIVATIVES, PREPARATIONS AND USES OF SAME GENFIT (FR) 2008-07-24 WO disclosed
WO-2008087367-A2 SUBSTITUTED (PHENYLTHIAZOLYL)-PHENYL-PROPAN-1-ONE AND (PHENYLOXAZODYL)-PHENYL-PROPAN-1-ONE DERIVATIVES, PREPARATIONS AND USES OF SAME GENFIT (FR) 2008-07-24 WO disclosed
US-7153878-B2 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2006-12-26 US disclosed
US-20050107449-A1 Peroxisome proliferator activated receptor modulators ELILILLY AND COMPANY 2005-05-19 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 (1 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-20050107449-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD IKBKB 4269/4885PPARD 3/4885PPARG 1/4885

“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.