SCHEMBL12096728

SCHEMBL12096728

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

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 10/20 0.53
▸ PPARA Q07869 8/20 0.53
▸ PPARD Q03181 7/20 0.53
▸ ALDH1A1 P00352 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTR6 P50406 4/20 0.41
▸ RORC P51449 1/20 0.40

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 0.89 PPARG (0.56) PPARGPPARAPPARDALDH1A1L3MBTL1
SCHEMBL18580379 0.86 PPARG (0.56) PPARGPPARAPPARDTP53MAPT
SCHEMBL12096924 0.86 PPARG (0.51) PPARGPPARAPPARDALDH1A1L3MBTL1
SCHEMBL12096674 0.85 PPARG (0.52) PPARGPPARAPPARDTP53MAPT
SCHEMBL14057067 0.84 PPARG (0.39) PPARGPPARAPPARDALDH1A1L3MBTL1
SCHEMBL12096746 0.83 PPARG (0.48) PPARGPPARAPPARDTP53MAPT
SCHEMBL2218298 0.83 PPARG (0.80) PPARGPPARAPPARDRORC
SCHEMBL14053616 0.83 TP53 (0.42) PPARGPPARAPPARDALDH1A1L3MBTL1
SCHEMBL1444435 0.83 PPARG (0.48) PPARGPPARAPPARDTP53MAPT
SCHEMBL12096858 0.83 PPARG (0.46) PPARGPPARAPPARDALDH1A1L3MBTL1

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-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2017-03-09 — — US disclosed
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 (2 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
US-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS NCOR1, NCOR2, NCOA1 PPARG 324/4885PPARA 227/4885PPARD 200/4885

“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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