SCHEMBL4575187

SCHEMBL4575187

CCc1cnc(N(CCc2ccc(OC(C)C(=O)O)c(Br)c2)Cc2ccc(C(F)(F)F)cc2)nc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.38
PPARD Q03181 6/20 0.38
PTGDR2 Q9Y5Y4 4/20 0.37
PPARG P37231 7/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
NR3C1 P04150 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
ABCB11 O95342 1/20 0.34
MGLL Q99685 1/20 0.34
CYP2C9 P11712 1/20 0.33

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
SCHEMBL4575120 0.92 CYP1A2 (0.39) PPARAPPARDPPARGCYP1A2CYP2D6
SCHEMBL4574795 0.91 PPARG (0.38) PPARAPPARDPPARGALOX5CYP1A2
SCHEMBL4575153 0.91 PPARA (0.40) PPARAPPARDPTGDR2PPARGABCB11
SCHEMBL4575412 0.91 PPARD (0.46) PPARAPPARDPTGDR2PPARGCYP2C9
SCHEMBL4574642 0.87 PTPN1 (0.43) PPARAPPARDPPARGNR3C1CYP1A2
SCHEMBL4575837 0.86 PPARA (0.41) PPARAPPARDPTGDR2PPARG
SCHEMBL4575350 0.85 PPARA (0.40) PPARAPPARDPTGDR2PPARGNR3C1
SCHEMBL4575465 0.82 TSHR (0.42) PPARAPPARDPPARG
SCHEMBL4576048 0.82 MAOB (0.36) PPARAPPARDPPARGNR3C1CYP1A2
SCHEMBL4575158 0.81 PPARD (0.38) PPARAPPARDPPARGALOX5CYP2C9

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
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-20050137212-A1 Hppars activators SMITHKLINE BEECHAM CORPORATION 2005-06-23 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-20050137212-A1 Hppars activators PPARG, PPARA, PPARD PPARA 2/4885PPARD 3/4885PTGDR2 332/4885

“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.