SCHEMBL2275980

SCHEMBL2275980

CC(C)c1ccc(S(=O)(=O)n2c(Cc3ccc(C(=O)O)cc3)cc3nc(C(F)(F)F)ccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ RORC P51449 9/20 0.41
▸ IDH1 O75874 1/20 0.41
▸ NOD1 Q9Y239 1/20 0.40
▸ PPARG P37231 3/20 0.37
▸ PPARA Q07869 3/20 0.37
▸ PPARD Q03181 2/20 0.37
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ TRPM8 Q7Z2W7 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.35
▸ KIF11 P52732 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
SCHEMBL15520413 0.92 PPARG (0.41) SMN1; SMN2RORCIDH1NOD1PPARG
SCHEMBL14054331 0.90 IDH1 (0.43) RORCIDH1NOD1PPARGPPARA
SCHEMBL15520414 0.89 NOD1 (0.38) SMN1; SMN2RORCIDH1NOD1PPARG
SCHEMBL14054109 0.85 RORC (0.39) RORCNOD1PPARGPPARAPPARD
SCHEMBL12096737 0.85 PPARG (0.54) RORCPPARGPPARAPPARD
SCHEMBL14053489 0.83 TP53 (0.39) RORCIDH1PPARGPPARAPPARD
SCHEMBL3531194 0.81 PPARG (0.58) PPARGPPARAPPARD
SCHEMBL12096941 0.81 PPARG (0.52) PPARGPPARAPPARD
SCHEMBL2279719 0.79 TRPM8 (0.43) RORCTRPM8
SCHEMBL14055308 0.79 IDH1 (0.44) RORCIDH1NOD1

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 14 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
EP-2521727-A1 NOVEL BENZOIC PYRROLOPYRIDINE DERIVATIVES Laboratoires Fournier S.A. (FR) 2012-11-14 — — EP claimed
CN-102753552-A Novel pyrrolopyridine benzoate derivatives FOURNIER LAB SA 2012-10-24 — — CN claimed
WO-2011083278-A1 NOVEL BENZOIC PYRROLOPYRIDINE DERIVATIVES LABORATOIRES FOURNIER SA (FR) 2011-07-14 — — WO claimed
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
CN-102753552-A Novel pyrrolopyridine benzoate derivatives FOURNIER LAB SA 2012-10-24 — — CN 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 SMN1; SMN2 3120/4885RORC 101/4885IDH1 833/4885

“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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