SCHEMBL504228

SCHEMBL504228

O=C(O)Cc1c(C(=O)O)c2cc(Oc3ccc(OC(F)(F)F)cc3)ccc2n1-c1ccc(NC2CCCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.39
EPHX1 P07099 1/20 0.39
LTA4H P09960 4/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
IDH1 O75874 6/20 0.36
FAAH O00519 1/20 0.36
USP14 P54578 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
GALR2 O43603 1/20 0.35
GALR1 P47211 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34

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
SCHEMBL503816 0.88 KDM4E (0.44) EPHX2EPHX1LTA4HPPARGPPARA
SCHEMBL503883 0.87 EPHX2 (0.41) EPHX2PPARGPPARAKDM4EFAAH
SCHEMBL504103 0.86 EPHX2 (0.41) EPHX2PPARGPPARAKDM4EALDH1A1
SCHEMBL10076916 0.85 PPARG (0.47) EPHX2LTA4HPPARGPPARAKDM4E
SCHEMBL334825 0.84 USP14 (0.43) EPHX2PPARGPPARAKDM4EUSP14
SCHEMBL333774 0.83 PPARG (0.46) PPARGPPARA
SCHEMBL333611 0.83 PPARG (0.47) PPARGPPARAKDM4EALDH1A1USP14
SCHEMBL504299 0.82 FFAR1 (0.46) EPHX2LTA4HPPARGPPARA
SCHEMBL333656 0.82 PPARG (0.43) PPARGPPARAKDM4EUSP14
SCHEMBL333665 0.81 MEN1 (0.44) PPARGPPARAKDM4EALDH1A1USP14

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 EPHX2 973/4885EPHX1 676/4885LTA4H 6/4885

“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.