SCHEMBL492885

SCHEMBL492885

COc1ccc(S(=O)(=O)N(C)CCOCC(=O)NCC2CCC(C(c3cccc(F)c3)N(C)C)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
CXCR3 P49682 2/20 0.39
HTT P42858 1/20 0.38
HTR6 P50406 1/20 0.38
KMT2A Q03164 1/20 0.37
MGAT3 Q09327 1/20 0.37
PTGIR P43119 3/20 0.37
PTGDR Q13258 1/20 0.37
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
BDKRB1 P46663 1/20 0.36
LMNA P02545 2/20 0.35
TAS2R14 Q9NYV8 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
SCHEMBL493251 0.94 HTR6 (0.38) ALDH1A1HTTHTR6KMT2APTGIR
SCHEMBL493303 0.93 ALDH1A1 (0.39) ALDH1A1HTR6KMT2AMGAT3PTGIR
SCHEMBL493346 0.92 HTR6 (0.37) ALDH1A1HTR6KMT2APTGIRGAA
SCHEMBL493168 0.92 CXCR3 (0.41) CXCR3HTTHTR6PTGIRGAA
SCHEMBL493579 0.92 CXCR3 (0.38) ALDH1A1CXCR3HTR6KMT2APTGIR
SCHEMBL493379 0.91 KMT2A (0.44) ALDH1A1CXCR3HTTKMT2AGAA
SCHEMBL493883 0.91 CXCR3 (0.46) ALDH1A1CXCR3HTTKMT2APTGIR
SCHEMBL492423 0.90 BDKRB1 (0.48) BDKRB1
SCHEMBL492686 0.89 ALDH1A1 (0.41) ALDH1A1HTTKMT2AMGAT3GAA
SCHEMBL493314 0.87 LMNA (0.39) HTR6KMT2APTGIRGAASMN1; SMN2

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
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
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US 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 ALDH1A1 1349/4885CXCR3 4458/4885HTT 3541/4885

“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.