SCHEMBL493350

SCHEMBL493350

COc1cc(C)c(S(=O)(=O)N(CCOCC(=O)NCCC2CCC(C(c3cccs3)N(C)C)CC2)Cc2ccccc2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 15/20 0.40
CXCR3 P49682 1/20 0.35
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL493308 0.92 AVPR1B (0.37) BDKRB1ALDH1A1
SCHEMBL492795 0.90 BDKRB1 (0.51) BDKRB1
SCHEMBL492680 0.89 KMT2A (0.41) CXCR3
SCHEMBL493391 0.87 BDKRB1 (0.41) BDKRB1CXCR3
SCHEMBL493132 0.87 BDKRB1 (0.41) BDKRB1CXCR3
SCHEMBL492523 0.86 BDKRB1 (0.40) BDKRB1CXCR3
SCHEMBL493740 0.84 CXCR3 (0.43) BDKRB1CXCR3ALDH1A1
SCHEMBL492786 0.84 BDKRB1 (0.34) BDKRB1ALDH1A1PKM
SCHEMBL493214 0.84 BDKRB1 (0.43) BDKRB1PKM
SCHEMBL493535 0.83 BDKRB1 (0.48) BDKRB1

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 5 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
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 BDKRB1 1622/4885CXCR3 4458/4885ALDH1A1 1349/4885

“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.