SCHEMBL504095

SCHEMBL504095

CN(c1ccc(-n2c(CC(=O)O)c(C(=O)O)c3cc(Oc4ccc(OC(F)(F)F)cc4)ccc32)cc1)c1cccnc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 3/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
CXCR3 P49682 7/20 0.36
CYP3A4 P08684 2/20 0.35
KDM6B O15054 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LTC4S Q16873 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
USP14 P54578 1/20 0.34
PDK1 Q15118 1/20 0.34
ELANE P08246 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
SCHEMBL333665 0.86 MEN1 (0.44) PPARGPPARAPTGDR2KDM4EMEN1
SCHEMBL503512 0.84 PPARG (0.43) PPARGPPARAKDM4EMEN1KMT2A
SCHEMBL10076916 0.83 PPARG (0.47) PPARGPPARAKDM4EMEN1KMT2A
SCHEMBL333566 0.83 PPARG (0.41) PPARGPPARAKDM4EMEN1KMT2A
SCHEMBL504096 0.82 CYP2C19 (0.45) KDM4CCXCR3CYP3A4
SCHEMBL333656 0.81 PPARG (0.43) PPARGPPARAKDM4EMEN1KMT2A
SCHEMBL503553 0.80 ELANE (0.39) PPARGPPARAKDM4EMEN1KMT2A
SCHEMBL333774 0.80 PPARG (0.46) PPARGPPARAMEN1KMT2A
SCHEMBL333611 0.80 PPARG (0.47) PPARGPPARACYP3A4PTGDR2KDM4E
SCHEMBL504356 0.79 PPARG (0.42) PPARGPPARAKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120029016-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SW) 2012-02-02 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-20120029016-A1 Indoles Useful in the Treatment of Inflammation LTC4S, LTB4R2, LTB4R KDM4C 2138/4885PPARG 3260/4885PPARA 1860/4885

“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.