SCHEMBL12097011

SCHEMBL12097011

Cc1c(Cc2ccc(C(=O)O)s2)n(S(=O)(=O)c2cccc(C(C)(C)C)c2)c2ccc(C(F)(F)F)cc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.39
▸ CYP2C19 P33261 3/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ PPARG P37231 5/20 0.37
▸ PPARA Q07869 4/20 0.37
▸ PPARD Q03181 3/20 0.37
▸ HTR6 P50406 7/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RORC P51449 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ PTGDR Q13258 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL12097004 0.93 CYP3A4 (0.40) CYP3A4CYP2C19CYP2C9CYP2D6PPARG
SCHEMBL27936040 0.84 ITK (0.33) CYP3A4CYP2C19CYP2C9CYP2D6PPARG
SCHEMBL12096810 0.84 POLB (0.41) CYP3A4CYP2C19CYP2C9CYP2D6PPARG
SCHEMBL12096609 0.83 PPARG (0.51) CYP3A4CYP2C19CYP2C9CYP2D6PPARG
SCHEMBL12096717 0.83 MRGPRX4 (0.43) CYP3A4CYP2C19CYP2C9CYP2D6PPARG
SCHEMBL12096702 0.82 PTGER1 (0.43) CYP3A4CYP2C19CYP2C9CYP2D6PPARG
SCHEMBL28947517 0.78 HTT (0.33) CYP3A4CYP2C19CYP2C9CYP2D6POLB
SCHEMBL14053991 0.77 TP53 (0.38) PPARGPPARAPPARDALDH1A1RORC
SCHEMBL12096843 0.76 HIF1A (0.41) CYP3A4CYP2C19CYP2C9CYP2D6PPARG
SCHEMBL12099652 0.76 PPARG (0.45) CYP3A4CYP2C19CYP2C9CYP2D6PPARG

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-20120232070-A1 Use of Indole Derivatives as Nurr-1 Activators for the Application Thereof as a Medicament for the Treatment of Parkinson's Disease LABORATOIRES FOURNIER SA (FR) 2012-09-13 — — 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-20120232070-A1 Use of Indole Derivatives as Nurr-1 Activators for the Application Thereof as a Medicament for the Treatment of Parkinson's Disease NCOR1, NR0B1, MTNR1A CYP3A4 2941/4885CYP2C19 2424/4885CYP2C9 2174/4885

“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.

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