SCHEMBL12096834

SCHEMBL12096834

COC(=O)c1ccc(C(O)c2cc3cc(C(F)(F)F)ccc3n2S(=O)(=O)c2cccc(C(C)C)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 10/20 0.46
▸ PPARA Q07869 7/20 0.46
▸ PPARD Q03181 6/20 0.46
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KCNQ3 O43525 1/20 0.37
▸ KCNQ2 O43526 1/20 0.37
▸ PHGDH O43175 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ RORC P51449 2/20 0.35
▸ POLB P06746 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
SCHEMBL12096771 0.91 PPARG (0.45) PPARGPPARAPPARDMAPTRORC
SCHEMBL14053977 0.86 CYP3A4 (0.36) PPARGPPARAPPARDCYP3A4CYP2C9
SCHEMBL12096926 0.84 PPARG (0.51) PPARGPPARAPPARDCYP3A4CYP2C9
SCHEMBL12096867 0.82 PPARG (0.47) PPARGPPARAPPARDPHGDHCA12
SCHEMBL28807366 0.81 CYP3A4 (0.37) PPARGPPARAPPARDCYP3A4CYP2C9
SCHEMBL12096891 0.81 PPARG (0.45) PPARGPPARAPPARDMAPTRORC
SCHEMBL12096968 0.78 PPARG (0.43) PPARGPPARAPPARDMAPK1MAPT
SCHEMBL15519817 0.77 TRPM8 (0.37) MAPTRORC
SCHEMBL14054353 0.76 MAPT (0.37) PPARGPPARAPPARDCYP3A4CYP2C9
SCHEMBL12096722 0.76 PPARG (0.52) 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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