SCHEMBL492819

SCHEMBL492819

COc1ccc(S(=O)(=O)N2CCCCC2CCOCC(=O)NC2CCC(C(c3cccs3)N(C)C)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
PKM P14618 1/20 0.47
USP2 O75604 1/20 0.45
GAA P10253 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41
MMP13 P45452 1/20 0.41
PAX8 Q06710 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL492883 0.93 ALDH1A1 (0.46) ALDH1A1PKMUSP2GAANPC1
SCHEMBL492604 0.92 ALDH1A1 (0.47) ALDH1A1PKMUSP2GAARAB9A
SCHEMBL492698 0.90 ALDH1A1 (0.47) ALDH1A1PKMUSP2GAANPC1
SCHEMBL493094 0.90 ALDH1A1 (0.47) ALDH1A1PKMUSP2GAANPC1
SCHEMBL492515 0.89 RAB9A (0.49) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL492750 0.86 NPC1 (0.52) ALDH1A1NPC1RAB9ALMNAMEN1
SCHEMBL492935 0.85 NPC1 (0.46) NPC1RAB9ALMNAKMT2AMMP1
SCHEMBL493071 0.84 ALDH1A1 (0.40) ALDH1A1PKMUSP2GAALMNA
SCHEMBL492726 0.84 ALDH1A1 (0.46) ALDH1A1PKMUSP2GAANPC1
SCHEMBL492697 0.83 ALDH1A1 (0.47) ALDH1A1PKMUSP2GAANPC1

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 8 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
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP claimed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US claimed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO claimed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US disclosed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO 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 1161/4885USP2 4237/4885

“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.