SCHEMBL12096702

SCHEMBL12096702

Cc1c(Cc2nc(C(=O)O)cs2)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 15)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 2/20 0.43
▸ CYP2C19 P33261 3/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ PPARG P37231 5/20 0.38
▸ PPARA Q07869 4/20 0.38
▸ PPARD Q03181 3/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ LDHA P00338 1/20 0.36
▸ HTR6 P50406 5/20 0.35
▸ POLB P06746 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
SCHEMBL12096843 0.91 HIF1A (0.41) CYP2C19CYP2C9CYP3A4CYP2D6PPARG
SCHEMBL12096905 0.84 PPARG (0.50) PTGER1CYP2C19CYP2C9PPARGPPARA
SCHEMBL28807365 0.84 PTGER1 (0.40) PTGER1CYP2C19CYP2C9CYP3A4CYP2D6
SCHEMBL12096810 0.82 POLB (0.41) CYP2C19CYP2C9CYP3A4CYP2D6PPARG
SCHEMBL12097011 0.82 CYP3A4 (0.39) CYP2C19CYP2C9CYP3A4CYP2D6PPARG
SCHEMBL12096717 0.82 MRGPRX4 (0.43) CYP2C19CYP2C9CYP3A4CYP2D6PPARG
SCHEMBL14054162 0.79 TP53 (0.38) PTGER1PPARGPPARAPPARDTP53
SCHEMBL12097004 0.77 CYP3A4 (0.40) CYP2C19CYP2C9CYP3A4CYP2D6PPARG
SCHEMBL12096587 0.76 PPARG (0.47) PPARGPPARAPPARDMAPT
SCHEMBL28947331 0.76 MAPT (0.36) PTGER1TP53MAPT

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 2 patents. 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 claimed
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 PTGER1 535/4885CYP2C19 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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