SCHEMBL18580379

SCHEMBL18580379

CC(C)(C)c1cccc(S(=O)(=O)n2c(Cc3ccccc3)cc3cc(C(F)(F)F)ccc32)c1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 11/20 0.56
▸ PPARA Q07869 9/20 0.56
▸ PPARD Q03181 7/20 0.53
▸ TP53 P04637 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HTT P42858 1/20 0.41
▸ HTR6 P50406 4/20 0.41
▸ RORC P51449 2/20 0.41

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
SCHEMBL12096713 0.91 PPARG (0.53) PPARGPPARAPPARDHTR6RORC
SCHEMBL12096746 0.90 PPARG (0.48) PPARGPPARAPPARDTP53MAPT
SCHEMBL12099650 0.90 PPARG (0.52) PPARGPPARAPPARDRORC
SCHEMBL1444824 0.88 PPARG (0.48) PPARGPPARAPPARDHTTHTR6
SCHEMBL12096875 0.88 PPARG (0.53) PPARGPPARAPPARDRORC
SCHEMBL12096753 0.87 PPARG (0.49) PPARGPPARAPPARDRORC
SCHEMBL12096728 0.86 PPARG (0.53) PPARGPPARAPPARDTP53MAPT
SCHEMBL12096637 0.86 PPARG (0.56) PPARGPPARAPPARDTP53MAPT
SCHEMBL12096707 0.86 PPARG (0.51) PPARGPPARAPPARDRORC
SCHEMBL12096774 0.86 PPARG (0.53) PPARGPPARAPPARDMAPTRORC

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-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2017-03-09 — — 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-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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