SCHEMBL492942

SCHEMBL492942

COc1ccc(S(=O)(=O)N2CCCCC2COCC(=O)NCCC2CCC(C(c3cccs3)N(C)C)CC2)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
NPC1 O15118 3/20 0.37
TDP1 Q9NUW8 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL492649 0.94 ALDH1A1 (0.38) L3MBTL1RAB9AALDH1A1PKMNPC1
SCHEMBL492726 0.90 ALDH1A1 (0.46) L3MBTL1RAB9AALDH1A1PKMNPC1
SCHEMBL492556 0.89 L3MBTL1 (0.42) L3MBTL1RAB9AALDH1A1PKMNPC1
SCHEMBL492764 0.88 ALDH1A1 (0.46) RAB9AALDH1A1PKMNPC1USP2
SCHEMBL493099 0.87 NPC1 (0.43) L3MBTL1RAB9AALDH1A1NPC1NCOA1
SCHEMBL493106 0.87 NPC1 (0.36) RAB9AALDH1A1NPC1NCOA1NCOA3
SCHEMBL492855 0.87 NPC1 (0.39) L3MBTL1RAB9AALDH1A1NPC1NCOA1
SCHEMBL493094 0.84 ALDH1A1 (0.47) L3MBTL1RAB9AALDH1A1PKMNPC1
SCHEMBL492697 0.83 ALDH1A1 (0.47) RAB9AALDH1A1PKMNPC1USP2
SCHEMBL493197 0.83 RAB9A (0.39) RAB9AALDH1A1NPC1GAA

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 L3MBTL1 4753/4885RAB9A 2004/4885ALDH1A1 1349/4885

“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.