SCHEMBL493140

SCHEMBL493140

COc1ccc(S(=O)(=O)N2CCC(OCC(=O)NCC3CCC(C(c4cccs4)N(C)C)CC3)C2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
PKM P14618 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
LMNA P02545 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL492890 0.93 HDAC3 (0.44) ALDH1A1PKMHDAC3HDAC4HDAC1
SCHEMBL493153 0.90 EPHX2 (0.43) ALDH1A1PKMHDAC3HDAC4HDAC1
SCHEMBL493906 0.89 ALDH1A1 (0.44) ALDH1A1PKMLMNAHSD17B10KMT2A
SCHEMBL492425 0.89 ALDH1A1 (0.43) ALDH1A1PKMHDAC3HDAC4HDAC1
SCHEMBL493036 0.89 ALDH1A1 (0.44) ALDH1A1PKMLMNAKMT2AMEN1
SCHEMBL493152 0.89 ALDH1A1 (0.44) ALDH1A1PKMLMNAHSD17B10KMT2A
SCHEMBL492571 0.89 HDAC3 (0.44) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL492812 0.87 EPHX2 (0.39) ALDH1A1PKMLMNAKMT2AMEN1
SCHEMBL492160 0.86 GAA (0.42) ALDH1A1PKMLMNAKMT2AMEN1
SCHEMBL493143 0.86 ALDH1A1 (0.42) ALDH1A1PKMLMNAPOLBEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US claimed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US claimed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD ALDH1A1 1349/4885PKM 1161/4885HDAC3 66/4885

“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.