SCHEMBL977178

SCHEMBL977178

Cc1ccc(S(=O)(=O)N2CCc3sc(C(=O)O)cc3C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.49
PRMT5 O14744 1/20 0.48
WDR77 Q9BQA1 1/20 0.48
PKM P14618 1/20 0.47
GAA P10253 1/20 0.46
CD4 P01730 5/20 0.46
F10 P00742 1/20 0.46
DNMT1 P26358 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RYR2 Q92736 1/20 0.45
HSD11B1 P28845 1/20 0.44
LMNA P02545 1/20 0.44
BLM P54132 1/20 0.44
PAX8 Q06710 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL978126 0.85 KMT2A (0.51) PRMT5WDR77PKMCD4DNMT1
SCHEMBL16396027 0.81 ALDH1A1 (0.50) AKR1C3PRMT5WDR77F10RYR2
SCHEMBL978294 0.80 PRMT5 (0.49) PRMT5WDR77GAALMNABLM
SCHEMBL12868604 0.79 HDAC6 (0.52) PRMT5WDR77GAACD4F10
SCHEMBL13896975 0.78 ALDH1A1 (0.47) AKR1C3PRMT5WDR77F10DNMT1
SCHEMBL1174276 0.77 HDAC6 (0.56) PRMT5WDR77GAAF10DNMT1
SCHEMBL17786050 0.76 AKR1C3 (0.73) AKR1C3
SCHEMBL1174458 0.74 HDAC6 (0.66) AKR1C3PRMT5WDR77GAASMN1; SMN2
SCHEMBL12868970 0.74 TDP1 (0.56) PRMT5WDR77PKMDNMT1CTDSP1
SCHEMBL975529 0.74 AKR1C3 (0.49) AKR1C3PKMCD4SMN1; SMN2

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 5 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 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 AKR1C3 1779/4885PRMT5 262/4885WDR77 106/4885

“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.