SCHEMBL5278317

SCHEMBL5278317

COc1cc(NS(=O)(=O)c2ccc(CCCNC(=O)COCc3ccc(F)cc3)cc2)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
ALDH1A1 P00352 4/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PKM P14618 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HSD17B3 P37058 1/20 0.42
HSD17B2 P37059 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL5280023 0.93 FFAR1 (0.46) FFAR1FFAR4ALDH1A1POLBMAPK1
SCHEMBL6037941 0.93 ALDH1A1 (0.49) FFAR1FFAR4ALDH1A1POLBMAPK1
SCHEMBL5283923 0.91 FFAR4 (0.45) FFAR1FFAR4ALDH1A1POLBMAPK1
SCHEMBL5280811 0.90 ALDH1A1 (0.48) FFAR1FFAR4ALDH1A1POLBMAPK1
SCHEMBL6038022 0.88 FFAR1 (0.46) FFAR1FFAR4ALDH1A1POLBMAPK1
SCHEMBL6037982 0.88 HDAC1 (0.50) FFAR1FFAR4ALDH1A1POLBMAPK1
SCHEMBL6038148 0.88 ALDH1A1 (0.53) ALDH1A1POLBMAPK1SMN1; SMN2MEN1
SCHEMBL5277041 0.87 SMN1; SMN2 (0.45) FFAR1FFAR4ALDH1A1POLBMAPK1
SCHEMBL5277245 0.87 FFAR1 (0.53) FFAR1FFAR4ALDH1A1SMN1; SMN2PKM
SCHEMBL6038161 0.87 FFAR1 (0.53) FFAR1FFAR4ALDH1A1SMN1; SMN2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863804-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2007-12-12 EP claimed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US claimed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 WO claimed

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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 FFAR1 3897/4885FFAR4 4291/4885MTNR1A 2087/4885

“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.