SCHEMBL493183

SCHEMBL493183

COc1ccc(S(=O)(=O)N2CCCCC2COCC(=O)NCC2CCC(C(c3cccc(F)c3)N(C)C)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 4/20 0.41
PAX8 Q06710 1/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KCNQ1 P51787 1/20 0.39
KMT2A Q03164 1/20 0.39
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
MMP13 P45452 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
BDKRB1 P46663 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
SCHEMBL492715 0.98 RAB9A (0.42) NPC1RAB9APAX8KMT2AHCRTR1
SCHEMBL493410 0.93 NPC1 (0.47) NPC1RAB9APAX8LMNATSHR
SCHEMBL494150 0.93 NPC1 (0.48) NPC1RAB9APAX8LMNATSHR
SCHEMBL492503 0.92 FKBP1A (0.41) NPC1KMT2AHCRTR1HCRTR2
SCHEMBL492845 0.92 NPC1 (0.50) NPC1RAB9APAX8LMNATSHR
SCHEMBL492877 0.92 RAB9A (0.47) NPC1RAB9APAX8MMP1MMP3
SCHEMBL492617 0.91 NPC1 (0.46) NPC1RAB9APAX8KMT2AHCRTR1
SCHEMBL493234 0.91 LMNA (0.37) NPC1RAB9ALMNATSHRNPSR1
SCHEMBL492696 0.90 NPC1 (0.44) NPC1RAB9ALMNATSHRNPSR1
SCHEMBL493022 0.90 HTR7 (0.36) NPC1TSHRKMT2AHCRTR1HCRTR2

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 NPC1 519/4885RAB9A 2004/4885PAX8 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.