SCHEMBL14053977

SCHEMBL14053977

COC(=O)c1ccc(C(O)c2cc3cc(C(F)(F)F)cnc3n2S(=O)(=O)c2cccc(C(C)C)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ SDHB P21912 1/20 0.35
▸ PPARG P37231 2/20 0.34
▸ PPARD Q03181 2/20 0.34
▸ PPARA Q07869 2/20 0.34
▸ P2RY1 P47900 1/20 0.34
▸ RORC P51449 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL15519817 0.92 TRPM8 (0.37) LMNARORCALDH1A1MAPTKDM4E
SCHEMBL14054353 0.90 MAPT (0.37) CYP3A4CYP2C9MAPK1CYP2C19LMNA
SCHEMBL12096834 0.86 PPARG (0.46) CYP3A4CYP2C9MAPK1CYP2C19CA12
SCHEMBL15519675 0.85 TRPM8 (0.34) LMNAPPARGPPARDPPARARORC
SCHEMBL14054203 0.85 RORC (0.38) LMNASDHBPPARGPPARDPPARA
SCHEMBL15519975 0.82 TP53 (0.39) LMNARORCALDH1A1MAPTKDM4E
SCHEMBL15519674 0.81 TRPM8 (0.39) PPARD
SCHEMBL14054259 0.80 CA12 (0.41) CYP3A4CYP2C9MAPK1CYP2C19CA12
SCHEMBL12096771 0.77 PPARG (0.45) PPARGPPARDPPARARORCMAPT
SCHEMBL14054218 0.77 RORC (0.41) CYP3A4CYP2C9MAPK1CYP2C19LMNA

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 CYP3A4 1419/4885CYP2C9 2387/4885MAPK1 1437/4885

“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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