SCHEMBL14053485

SCHEMBL14053485

CC(C)(C)c1cccc(S(=O)(=O)n2c(C(O)c3ccc(C(=O)O)s3)cc3nc(C(F)(F)F)ccc32)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RORC P51449 5/20 0.35
▸ ALDH1A1 P00352 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PPARG P37231 3/20 0.32
▸ PPARD Q03181 3/20 0.32
▸ PPARA Q07869 3/20 0.32
▸ GBA1 P04062 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ NOD1 Q9Y239 1/20 0.31
▸ HTR6 P50406 2/20 0.31
▸ GALK1 P51570 1/20 0.31

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
SCHEMBL15519838 0.89 TP53 (0.39) TP53MAPTRORCALDH1A1L3MBTL1
SCHEMBL12096759 0.86 PPARG (0.43) TP53MAPTRORCPPARGPPARD
SCHEMBL14054102 0.84 MAPT (0.40) TP53MAPTRORCALDH1A1L3MBTL1
SCHEMBL14054794 0.83 TP53 (0.35) TP53MAPTRORCALDH1A1L3MBTL1
SCHEMBL14053991 0.82 TP53 (0.38) TP53MAPTRORCALDH1A1L3MBTL1
SCHEMBL12096942 0.80 PPARG (0.44) TP53MAPTRORCPPARGPPARD
SCHEMBL15519846 0.79 TP53 (0.41) TP53MAPTRORCALDH1A1L3MBTL1
SCHEMBL18299930 0.77 TP53 (0.36) TP53MAPTRORCALDH1A1PPARG
SCHEMBL15519752 0.77 MAPT (0.38) TP53MAPTRORCALDH1A1L3MBTL1
SCHEMBL14053482 0.74 TP53 (0.42) TP53MAPTRORCALDH1A1L3MBTL1

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 9 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 claimed
US-8546385-B2 Benzoic pyrrolopyridine derivatives LABORATOIRES FOURNIER SA (FR) 2013-10-01 — — US claimed
US-20120302560-A1 Novel Benzoic Pyrrolopyridine Derivatives LABORATOIRES FOURNIER SA (FR) 2012-11-29 — — US claimed
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 3895/4885RORC 101/4885

“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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