SCHEMBL12096674

SCHEMBL12096674

CC(C)(C)c1cccc(S(=O)(=O)n2c(CC(N)=S)cc3cc(C(F)(F)F)ccc32)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 11/20 0.52
▸ PPARA Q07869 9/20 0.52
▸ PPARD Q03181 7/20 0.52
▸ RORC P51449 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTR6 P50406 3/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL12096637 0.87 PPARG (0.56) PPARGPPARAPPARDRORCTP53
SCHEMBL12096728 0.85 PPARG (0.53) PPARGPPARAPPARDRORCTP53
SCHEMBL14053923 0.85 TP53 (0.39) PPARGPPARAPPARDRORCSMN1; SMN2
SCHEMBL12096924 0.82 PPARG (0.51) PPARGPPARAPPARDRORCTP53
SCHEMBL18580379 0.82 PPARG (0.56) PPARGPPARAPPARDRORCTP53
SCHEMBL27936057 0.81 PPARG (0.37) PPARGPPARAPPARD
SCHEMBL12096746 0.81 PPARG (0.48) PPARGPPARAPPARDRORCTP53
SCHEMBL2218298 0.81 PPARG (0.80) PPARGPPARAPPARDRORC
SCHEMBL2216800 0.80 PPARG (0.75) PPARGPPARAPPARDRORC
SCHEMBL12096753 0.80 PPARG (0.49) PPARGPPARAPPARDRORC

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 PPARG 423/4885PPARA 564/4885PPARD 302/4885

“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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