SCHEMBL493738

SCHEMBL493738

COc1ccc(S(=O)(=O)N2CCCC2COCC(=O)NC2CCC(C(c3ccccc3)N(C)C)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.43
NPC1 O15118 1/20 0.43
PAX8 Q06710 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HCRTR1 O43613 3/20 0.41
HCRTR2 O43614 3/20 0.41
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
POLB P06746 1/20 0.41
CASP3 P42574 1/20 0.40
CASP7 P55210 1/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
CHRM5 P08912 1/20 0.40

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
SCHEMBL493720 0.98 RAB9A (0.46) RAB9ANPC1PAX8MEN1KMT2A
SCHEMBL493112 0.92 NPC1 (0.46) RAB9ANPC1PAX8MEN1KMT2A
SCHEMBL492515 0.92 RAB9A (0.49) RAB9ANPC1PAX8MEN1KMT2A
SCHEMBL493368 0.91 HCRTR1 (0.41) RAB9ANPC1PAX8HCRTR1HCRTR2
SCHEMBL492818 0.90 NPC1 (0.49) RAB9ANPC1PAX8MEN1KMT2A
SCHEMBL493186 0.89 PSEN1 (0.45) PAX8MEN1KMT2APOLBGAA
SCHEMBL492696 0.89 NPC1 (0.44) RAB9ANPC1KMT2AHCRTR1HCRTR2
SCHEMBL492604 0.88 ALDH1A1 (0.47) RAB9APAX8MEN1KMT2AHCRTR1
SCHEMBL492898 0.88 FKBP1A (0.42) MEN1KMT2AHCRTR1HCRTR2POLB
SCHEMBL492877 0.87 RAB9A (0.47) RAB9ANPC1PAX8MMP1MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 RAB9A 2004/4885NPC1 519/4885PAX8 2654/4885

“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.