SCHEMBL2997313

SCHEMBL2997313

CC(C)Oc1ccc(-n2c(C(=O)O)c(SC(C)(C)C)c3cc(-c4ccc(C(F)(F)F)cn4)ccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.45
PTGES O14684 3/20 0.45
PPARG P37231 15/20 0.42
PPARA Q07869 6/20 0.42
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL3013327 0.93 PTGES (0.43) ALOX5APPTGESPPARGPPARA
SCHEMBL2997573 0.90 ALOX5AP (0.44) ALOX5APPTGESPPARGPPARACYP3A4
SCHEMBL3011271 0.88 PTGES (0.45) PTGESPPARGPPARA
SCHEMBL334396 0.88 PTGES (0.45) PTGESPPARGPPARA
SCHEMBL3001794 0.88 PTGES (0.45) PTGESPPARGPPARA
SCHEMBL3572273 0.87 PTGES (0.45) PTGESPPARGPPARA
SCHEMBL334351 0.87 PTGES (0.45) ALOX5APPTGESPPARGPPARA
SCHEMBL3006446 0.87 PTGES (0.44) PTGESPPARGPPARA
SCHEMBL3013088 0.86 PTGES (0.45) PTGESPPARGPPARA
SCHEMBL3009821 0.85 PTGES (0.43) PTGESPPARGPPARA

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 ALOX5AP 1106/4885PTGES 33/4885PPARG 2505/4885

“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.