SCHEMBL14053482

SCHEMBL14053482

CC(C)(C)c1cccc(S(=O)(=O)n2c(CO)cc3nc(C(F)(F)F)ccc32)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PPARG P37231 6/20 0.39
▸ PPARA Q07869 5/20 0.39
▸ PPARD Q03181 4/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ NOD1 Q9Y239 1/20 0.37
▸ HTR6 P50406 6/20 0.36
▸ RORC P51449 1/20 0.36
▸ NPSR1 Q6W5P4 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
SCHEMBL14053616 0.90 TP53 (0.42) TP53MAPTPPARGPPARAPPARD
SCHEMBL14053923 0.87 TP53 (0.39) TP53MAPTPPARGPPARAPPARD
SCHEMBL14054320 0.87 TP53 (0.43) TP53MAPTPPARGPPARAPPARD
SCHEMBL14053489 0.84 TP53 (0.39) TP53MAPTPPARGPPARAPPARD
SCHEMBL15519365 0.83 PPARG (0.41) TP53MAPTPPARGPPARAPPARD
SCHEMBL12096637 0.83 PPARG (0.56) TP53MAPTPPARGPPARAPPARD
SCHEMBL14124687 0.82 PPARG (0.41) TP53MAPTPPARGPPARAPPARD
SCHEMBL14053991 0.82 TP53 (0.38) TP53MAPTPPARGPPARAPPARD
SCHEMBL14053267 0.82 PPARG (0.39) TP53MAPTPPARGPPARAPPARD
SCHEMBL14054162 0.82 TP53 (0.38) TP53MAPTPPARGPPARAPPARD

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 TP53 2199/4885MAPT 3895/4885PPARG 133/4885

“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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