SCHEMBL14057067

SCHEMBL14057067

CC(C)(C)c1cccc(S(=O)(=O)n2c(CBr)cc3cc(C(F)(F)F)ncc32)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 6/20 0.39
▸ PPARA Q07869 6/20 0.39
▸ PPARD Q03181 4/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ RORC P51449 3/20 0.36
▸ HTR6 P50406 4/20 0.34
▸ PDE5A O76074 1/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34

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
SCHEMBL14124687 0.90 PPARG (0.41) PPARGPPARAPPARDALDH1A1L3MBTL1
SCHEMBL12096728 0.84 PPARG (0.53) PPARGPPARAPPARDALDH1A1L3MBTL1
SCHEMBL14053616 0.82 TP53 (0.42) PPARGPPARAPPARDALDH1A1L3MBTL1
SCHEMBL14124693 0.82 MRGPRX4 (0.41) PPARGPPARAPPARDALDH1A1KDM4E
SCHEMBL15519194 0.82 RORC (0.46) PPARGPPARAPPARDALDH1A1L3MBTL1
SCHEMBL14053938 0.81 PPARG (0.38) PPARGPPARAPPARDTP53MAPT
SCHEMBL14058394 0.80 PPARG (0.38) PPARGPPARAPPARDTP53MAPT
SCHEMBL14054058 0.80 PPARG (0.38) PPARGPPARAPPARDTP53MAPT
SCHEMBL14053566 0.80 PPARG (0.39) PPARGPPARAPPARDRORC
SCHEMBL14054024 0.79 PPARG (0.40) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2521727-B1 NEW BENZOIC PYRROLOPYRIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PARKINSON'S DISEASE INVENTIVA (FR) 2014-03-19 — — EP disclosed
US-8546385-B2 Benzoic pyrrolopyridine derivatives LABORATOIRES FOURNIER SA (FR) 2013-10-01 — — US disclosed
US-8546385-B2 Benzoic pyrrolopyridine derivatives LABORATOIRES FOURNIER SA (FR) 2013-10-01 — — US disclosed
US-8546385-B2 Benzoic pyrrolopyridine derivatives LABORATOIRES FOURNIER SA (FR) 2013-10-01 — — US disclosed
US-20120302560-A1 Novel Benzoic Pyrrolopyridine Derivatives LABORATOIRES FOURNIER SA (FR) 2012-11-29 — — US disclosed
US-20120302560-A1 Novel Benzoic Pyrrolopyridine Derivatives LABORATOIRES FOURNIER SA (FR) 2012-11-29 — — US disclosed
US-20120302560-A1 Novel Benzoic Pyrrolopyridine Derivatives LABORATOIRES FOURNIER SA (FR) 2012-11-29 — — 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-20120302560-A1 Novel Benzoic Pyrrolopyridine Derivatives NCOR1, NCOR2, NR0B1 PPARG 133/4885PPARA 151/4885PPARD 35/4885

“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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