SCHEMBL492649

SCHEMBL492649

COc1ccc(S(=O)(=O)N2CCCCC2COCC(=O)NCC2CCC(C(c3cccs3)N(C)C)CC2)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
RAB9A P51151 3/20 0.35
GAA P10253 2/20 0.35
USP2 O75604 1/20 0.35
KCNQ1 P51787 1/20 0.35
NPC1 O15118 1/20 0.34
OXTR P30559 1/20 0.34
AVPR1A P37288 1/20 0.34
AVPR1B P47901 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 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
SCHEMBL492942 0.94 L3MBTL1 (0.41) ALDH1A1PKML3MBTL1RAB9AGAA
SCHEMBL492697 0.90 ALDH1A1 (0.47) ALDH1A1PKMRAB9AGAAUSP2
SCHEMBL493197 0.89 RAB9A (0.39) ALDH1A1RAB9AGAANPC1OXTR
SCHEMBL492833 0.88 KMT2A (0.39) ALDH1A1PKML3MBTL1USP2KMT2A
SCHEMBL492610 0.88 ALDH1A1 (0.47) ALDH1A1PKMRAB9AGAAUSP2
SCHEMBL493088 0.87 OXTR (0.37) ALDH1A1RAB9AGAANPC1OXTR
SCHEMBL493307 0.87 LMNA (0.42) ALDH1A1L3MBTL1RAB9AGAANPC1
SCHEMBL493234 0.86 LMNA (0.37) ALDH1A1RAB9AGAANPC1OXTR
SCHEMBL492698 0.83 ALDH1A1 (0.47) ALDH1A1PKMRAB9AGAAUSP2
SCHEMBL492726 0.83 ALDH1A1 (0.46) ALDH1A1PKML3MBTL1RAB9AGAA

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 1161/4885L3MBTL1 4753/4885

“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.