SCHEMBL12097004

SCHEMBL12097004

COC(=O)c1ccc(Cc2c(C)c3cc(C(F)(F)F)ccc3n2S(=O)(=O)c2cccc(C(C)(C)C)c2)s1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HTR6 P50406 4/20 0.39
▸ HIF1A Q16665 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ PPARG P37231 3/20 0.37
▸ PPARD Q03181 2/20 0.37
▸ PPARA Q07869 2/20 0.37
▸ RORC P51449 8/20 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
SCHEMBL12097011 0.93 CYP3A4 (0.39) CYP3A4CYP2C19CYP2D6CYP2C9HTR6
SCHEMBL28947517 0.85 HTT (0.33) CYP3A4CYP2C19CYP2D6CYP2C9HIF1A
SCHEMBL12096669 0.82 CYP3A4 (0.38) CYP3A4CYP2C19CYP2D6CYP2C9HTR6
SCHEMBL12096810 0.78 POLB (0.41) CYP3A4CYP2C19CYP2D6CYP2C9HTR6
SCHEMBL12096717 0.78 MRGPRX4 (0.43) CYP3A4CYP2C19CYP2D6CYP2C9PPARG
SCHEMBL27936040 0.78 ITK (0.33) CYP3A4CYP2C19CYP2D6CYP2C9PPARG
SCHEMBL12096843 0.78 HIF1A (0.41) CYP3A4CYP2C19CYP2D6CYP2C9HIF1A
SCHEMBL12096702 0.77 PTGER1 (0.43) CYP3A4CYP2C19CYP2D6CYP2C9HTR6
SCHEMBL12096824 0.77 PPARG (0.46) CYP3A4CYP2C19CYP2D6CYP2C9HTR6
SCHEMBL12096609 0.76 PPARG (0.51) CYP3A4CYP2C19CYP2D6CYP2C9PPARG

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 2424/4885CYP2D6 2306/4885

“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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