SCHEMBL493798

SCHEMBL493798

COc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)NC2CCC(C(CCc3ccccc3)N3CCCCC3)CC2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 5/20 0.37
SIGMAR1 Q99720 2/20 0.36
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL493290 0.99 SIGMAR1 (0.36) FKBP1ASIGMAR1POLBRAB9A
SCHEMBL493637 0.95 ATM (0.36) FKBP1ASIGMAR1SMN1; SMN2RAB9ANPC1
SCHEMBL493069 0.93 DRD2 (0.36) FKBP1ASIGMAR1POLBSMN1; SMN2RAB9A
SCHEMBL494616 0.90 FAAH (0.40) FKBP1ARAB9ANPC1ALDH1A1
SCHEMBL492876 0.88 FAAH (0.40) POLBRAB9AALDH1A1
SCHEMBL493156 0.88 POLB (0.39) SIGMAR1POLBSMN1; SMN2TDP1RAB9A
SCHEMBL493587 0.87 ALDH1A1 (0.37) FKBP1ASIGMAR1POLBSMN1; SMN2TDP1
SCHEMBL492997 0.87 RAB9A (0.37) FKBP1ASIGMAR1POLBSMN1; SMN2CYP1A2
SCHEMBL493739 0.86 FAAH (0.37) FKBP1ARAB9ANPC1ALDH1A1
SCHEMBL493340 0.85 L3MBTL1 (0.36) FKBP1ASIGMAR1POLBSMN1; SMN2TDP1

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 FKBP1A 835/4885SIGMAR1 84/4885POLB 2120/4885

“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.