SCHEMBL977239

SCHEMBL977239

Nc1ccccc1NC(=O)c1nc2c(s1)CN(S(=O)(=O)c1cccc(C(F)(F)F)c1)CC2

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.48
PPARG P37231 2/20 0.46
PPARD Q03181 2/20 0.46
PPARA Q07869 1/20 0.46
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.43
GRM5 P41594 1/20 0.42
ALDH1A1 P00352 1/20 0.42
F10 P00742 3/20 0.41
HTT P42858 1/20 0.40
MAPT P10636 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
STS P08842 1/20 0.40
RORC P51449 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL977766 0.91 PTGS1 (0.46) PTGS1PPARGPPARDPPARAF10
SCHEMBL979100 0.89 HDAC2 (0.44) PPARGPPARDPPARALMNAALDH1A1
SCHEMBL976294 0.88 F10 (0.42) PPARGPPARDPPARALMNAF10
SCHEMBL977988 0.85 F10 (0.46) F10MAPTHDAC3HDAC1
SCHEMBL976107 0.85 KDM4E (0.46) PPARGPPARDF10HDAC3
SCHEMBL978533 0.85 F10 (0.53) PPARGPPARDPPARALMNAF10
SCHEMBL976270 0.84 NPC1 (0.44) ALDH1A1F10MAPTHDAC3HDAC1
SCHEMBL980500 0.84 HDAC1 (0.42) LMNAF10HTTMAPTHDAC3
SCHEMBL976355 0.83 F10 (0.45) LMNAF10MAPT
SCHEMBL978019 0.81 F10 (0.51) LMNAALDH1A1F10HTTMAPT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440830-B2 Tetrahydro-fused pyridines as histone deacetylase inhibitors 4SC AG (DE) 2013-05-14 US claimed
EP-2197552-B1 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2012-11-21 EP claimed
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2011-01-27 US claimed
EP-2197552-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2010-06-23 EP claimed
WO-2009037001-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2009-03-26 WO claimed
US-8440830-B2 Tetrahydro-fused pyridines as histone deacetylase inhibitors 4SC AG (DE) 2013-05-14 US disclosed
EP-2197552-B1 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2012-11-21 EP disclosed
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2011-01-27 US disclosed
EP-2197552-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2010-06-23 EP disclosed
WO-2009037001-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2009-03-26 WO 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-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC3 PTGS1 2320/4885PPARG 2733/4885PPARD 1889/4885

“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.