SCHEMBL493379

SCHEMBL493379

COc1ccc(S(=O)(=O)N(C)CCOCC(=O)NCC2CCC(C(c3ccc(F)cc3)N(C)C)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
TAS2R14 Q9NYV8 1/20 0.40
CXCR3 P49682 2/20 0.40
ALDH1A1 P00352 4/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR7 P34969 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 2/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL493538 0.95 HTT (0.40) KMT2AALDH1A1NPC1LMNAHPGD
SCHEMBL493527 0.92 KMT2A (0.43) KMT2ATAS2R14ALDH1A1HTR2AHTR2C
SCHEMBL493165 0.92 SMN1; SMN2 (0.41) CXCR3ALDH1A1LMNAMMP2MMP9
SCHEMBL493378 0.92 KMT2A (0.43) KMT2ATAS2R14ALDH1A1NPC1LMNA
SCHEMBL493883 0.92 CXCR3 (0.46) KMT2ACXCR3ALDH1A1LMNAMMP2
SCHEMBL493086 0.92 BDKRB1 (0.42) KMT2ACXCR3HTR2ANPC1HPGD
SCHEMBL493376 0.91 ALDH1A1 (0.38) KMT2ACXCR3ALDH1A1NPC1LMNA
SCHEMBL492871 0.91 ALDH1A1 (0.38) KMT2ACXCR3ALDH1A1NPC1LMNA
SCHEMBL492544 0.91 PTGIR (0.41) KMT2ACXCR3ALDH1A1NPC1LMNA
SCHEMBL492885 0.91 ALDH1A1 (0.40) KMT2ATAS2R14CXCR3ALDH1A1LMNA

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 KMT2A 1749/4885TAS2R14 1127/4885CXCR3 4458/4885

“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.