SCHEMBL492803

SCHEMBL492803

Cc1ccc(S(=O)(=O)N(C)CCOCC(=O)NCCC2CCC(C(c3cccc(F)c3)N(C)C)CC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
OPRL1 P41146 2/20 0.36
OPRM1 P35372 1/20 0.36
BDKRB1 P46663 1/20 0.35
PTGIR P43119 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
ALDH1A1 P00352 2/20 0.34
OPRD1 P41143 1/20 0.34
HTR6 P50406 1/20 0.33
SLC9A3 P48764 1/20 0.33
CCR5 P51681 1/20 0.33
LMNA P02545 3/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL493166 0.95 KMT2A (0.37) SMN1; SMN2MEN1KMT2APOLBOPRL1
SCHEMBL492914 0.93 OPRL1 (0.37) MEN1KMT2AOPRL1BDKRB1PTGIR
SCHEMBL493303 0.93 ALDH1A1 (0.39) SMN1; SMN2KMT2ABDKRB1PTGIRALDH1A1
SCHEMBL493346 0.92 HTR6 (0.37) SMN1; SMN2MEN1KMT2APOLBOPRL1
SCHEMBL492810 0.91 OPRM1 (0.41) SMN1; SMN2OPRM1BDKRB1PTGIRLMNA
SCHEMBL492862 0.91 KMT2A (0.42) SMN1; SMN2MEN1KMT2APOLBBDKRB1
SCHEMBL494505 0.90 BDKRB1 (0.42) MEN1KMT2ABDKRB1
SCHEMBL493349 0.90 ALDH1A1 (0.40) SMN1; SMN2MEN1KMT2ABDKRB1ALDH1A1
SCHEMBL493170 0.89 LMNA (0.39) SMN1; SMN2KMT2AOPRL1OPRM1BDKRB1
SCHEMBL492894 0.88 BDKRB1 (0.37) OPRL1OPRM1BDKRB1HTR6SLC9A3

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
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US 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 SMN1; SMN2 1729/4885MEN1 4132/4885KMT2A 1749/4885

“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.