SCHEMBL493602

SCHEMBL493602

Cc1ccc(S(=O)(=O)N(C)CCOCC(=O)NCC2CCC(C(CCc3ccccc3)N(C)C)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
CXCR3 P49682 4/20 0.40
TP53 P04637 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.40
PTGIR P43119 2/20 0.39
THRB P10828 1/20 0.37
CNR2 P34972 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPY5R Q15761 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL492852 0.93 CXCR3 (0.46) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL492804 0.93 HTT (0.41) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL493549 0.92 CXCR3 (0.49) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL493075 0.90 CXCR3 (0.51) ALDH1A1LMNAHTTCXCR3CNR2
SCHEMBL493295 0.89 PDE4D (0.42) MAPTALDH1A1KMT2ACXCR3TP53
SCHEMBL493019 0.87 CXCR3 (0.46) MEN1KMT2ALMNACXCR3TAS2R14
SCHEMBL493317 0.87 BDKRB1 (0.40) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL493643 0.86 NPSR1 (0.42) ALDH1A1KMT2ALMNAHTTCXCR3
SCHEMBL494402 0.86 BDKRB1 (0.48)
SCHEMBL494025 0.85 CXCR3 (0.36) ALDH1A1CXCR3PTGIR

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 MAPT 1653/4885ALDH1A1 1349/4885MEN1 4132/4885

“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.