SCHEMBL5280023

SCHEMBL5280023

COc1ccc(NS(=O)(=O)c2ccc(CCCNC(=O)COCc3ccc(F)cc3)cc2)cc1O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
ALDH1A1 P00352 5/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 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
SCHEMBL5278317 0.93 FFAR1 (0.46) FFAR1FFAR4ALDH1A1POLBMAPK1
SCHEMBL6037941 0.93 ALDH1A1 (0.49) FFAR1FFAR4ALDH1A1POLBMAPK1
SCHEMBL5280811 0.90 ALDH1A1 (0.48) FFAR1FFAR4ALDH1A1POLBMAPK1
SCHEMBL6038022 0.90 FFAR1 (0.46) FFAR1FFAR4ALDH1A1POLBMAPK1
SCHEMBL6037982 0.90 HDAC1 (0.50) FFAR1FFAR4ALDH1A1POLBMAPK1
SCHEMBL5283923 0.89 FFAR4 (0.45) FFAR1FFAR4ALDH1A1POLBMAPK1
SCHEMBL6038148 0.88 ALDH1A1 (0.53) ALDH1A1POLBMAPK1SMN1; SMN2LMNA
SCHEMBL5277245 0.87 FFAR1 (0.53) FFAR1FFAR4ALDH1A1SMN1; SMN2LMNA
SCHEMBL5279126 0.87 FFAR1 (0.47) FFAR1FFAR4ALDH1A1SMN1; SMN2LMNA
SCHEMBL6038161 0.87 FFAR1 (0.53) FFAR1FFAR4ALDH1A1SMN1; SMN2LMNA

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 4291/4885ALDH1A1 781/4885

“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.