SCHEMBL493637

SCHEMBL493637

COc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)NC2CCC(C(CCc3ccccc3)N3CCOCC3)CC2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.36
FKBP1A P62942 4/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
DRD2 P14416 1/20 0.34
MMP12 P39900 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL493069 0.98 DRD2 (0.36) ATMFKBP1AALDH1A1SMN1; SMN2SIGMAR1
SCHEMBL493798 0.95 FKBP1A (0.37) FKBP1AALDH1A1SMN1; SMN2SIGMAR1NPC1
SCHEMBL493290 0.93 SIGMAR1 (0.36) FKBP1ASIGMAR1RAB9A
SCHEMBL493739 0.91 FAAH (0.37) FKBP1AALDH1A1DRD2NPC1RAB9A
SCHEMBL492959 0.89 DRD2 (0.38) ALDH1A1DRD2RAB9A
SCHEMBL493818 0.88 ATM (0.38) ATMALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL492984 0.88 POLB (0.38) ATMALDH1A1SMN1; SMN2SIGMAR1MEN1
SCHEMBL493127 0.87 ALDH1A1 (0.36) ATMFKBP1AALDH1A1SMN1; SMN2MEN1
SCHEMBL494616 0.86 FAAH (0.40) FKBP1AALDH1A1NPC1RAB9A
SCHEMBL493699 0.86 ATM (0.37) ATMALDH1A1SIGMAR1MEN1KMT2A

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 6 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
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 ATM 1904/4885FKBP1A 835/4885ALDH1A1 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.