SCHEMBL3012453

SCHEMBL3012453

CC(C)Oc1ccc(-n2c(-c3nnn[nH]3)c(Cl)c3cc(-c4ccc(C(F)(F)F)cc4)ccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.39
MAP4K1 Q92918 3/20 0.33
PTPN5 P54829 2/20 0.33
PIK3CA P42336 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP3A5 P20815 1/20 0.32
MCHR1 Q99705 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
PTPN11 Q06124 1/20 0.31
CYP1A2 P05177 1/20 0.31
PPARG P37231 1/20 0.30

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
SCHEMBL3015385 0.91 PPARG (0.33) PTGESCYP3A4CYP3A5PPARG
SCHEMBL3009742 0.91 MAP4K1 (0.37) PTGESMAP4K1MCHR1PPARG
SCHEMBL3001788 0.82 POLB (0.34) MAP4K1MCHR1PPARG
SCHEMBL3000796 0.75 MAP4K1 (0.35) MAP4K1MCHR1
SCHEMBL3000984 0.75 MCHR1 (0.36) MAP4K1MCHR1
SCHEMBL3006485 0.74 PTGES (0.38) PTGESCYP3A4CYP3A5PPARG
SCHEMBL4227238 0.69 PTGES (0.41) PTGESPTPN5CYP1A2PPARG
SCHEMBL3002266 0.68 PTGES (0.37) PTGESPTPN5CYP3A4CYP3A5MCHR1
SCHEMBL3003384 0.68 PTGES (0.37) PTGESPTPN5CYP3A4CYP3A5MCHR1
SCHEMBL4701667 0.68 PTGES (0.46) PTGESPPARG

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-20100197687-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2010-08-05 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-20100197687-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, TPH1 PTGES 33/4885MAP4K1 293/4885PTPN5 1450/4885

“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.