SCHEMBL493165

SCHEMBL493165

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MCOLN3 Q8TDD5 1/20 0.41
▸ CXCR3 P49682 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ LMNA P02545 3/20 0.37
▸ SLC9A3 P48764 1/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ CA9 Q16790 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
SCHEMBL493519 0.95 LMNA (0.40) SMN1; SMN2CXCR3ALDH1A1LMNASLC9A3
SCHEMBL493385 0.92 SMN1; SMN2 (0.43) SMN1; SMN2MCOLN3ALDH1A1CYP3A4CYP2C19
SCHEMBL493379 0.92 KMT2A (0.44) CXCR3ALDH1A1LMNAOPRM1OPRD1
SCHEMBL493177 0.92 ALDH1A1 (0.38) SMN1; SMN2CXCR3ALDH1A1LMNASLC9A3
SCHEMBL493883 0.92 CXCR3 (0.46) CXCR3ALDH1A1LMNAGAAMMP2
SCHEMBL493376 0.91 ALDH1A1 (0.38) SMN1; SMN2CXCR3ALDH1A1LMNAPKM
SCHEMBL492871 0.91 ALDH1A1 (0.38) SMN1; SMN2CXCR3ALDH1A1LMNAPKM
SCHEMBL492721 0.91 CXCR3 (0.43) CXCR3ALDH1A1LMNAPKM
SCHEMBL492874 0.91 BDKRB1 (0.42) SMN1; SMN2CXCR3ALDH1A1LMNASLC9A3
SCHEMBL492548 0.90 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1CYP3A4CYP2C19LMNA

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 SMN1; SMN2 1729/4885MCOLN3 961/4885CXCR3 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.

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