SCHEMBL492817

SCHEMBL492817

COc1ccc(S(=O)(=O)N(C)CCOCC(=O)NC2CCC(C(c3ccccc3)N(C)C)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CAMK2A Q9UQM7 2/20 0.40
CCR5 P51681 1/20 0.40
MMP1 P03956 4/20 0.40
MMP2 P08253 4/20 0.40
MMP3 P08254 4/20 0.40
MMP13 P45452 4/20 0.40
MMP9 P14780 1/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.40
BMP1 P13497 1/20 0.40
MMP7 P09237 2/20 0.40
CAMK2G Q13555 1/20 0.40
POLB P06746 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
USP2 O75604 1/20 0.38

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
SCHEMBL493526 0.93 CCR5 (0.43) CCR5LMNAALDH1A1HTT
SCHEMBL492711 0.92 KMT2A (0.43) MMP1MMP2MMP3MMP13MMP9
SCHEMBL492794 0.91 ALDH1A1 (0.40) CCR5LMNAALDH1A1HTTKMT2A
SCHEMBL492822 0.91 LMNA (0.40) CCR5LMNAKDM4EALDH1A1HTT
SCHEMBL492686 0.90 ALDH1A1 (0.41) MMP1MMP2MMP3MMP13LMNA
SCHEMBL492656 0.90 L3MBTL1 (0.44) CCR5LMNAALDH1A1HTT
SCHEMBL493185 0.89 MAPT (0.41) ALDH1A1HTTKMT2AMEN1USP2
SCHEMBL493883 0.88 CXCR3 (0.46) CAMK2AMMP2MMP9LMNAKDM4E
SCHEMBL493158 0.88 BDKRB1 (0.52)
SCHEMBL492541 0.87 ALDH1A1 (0.45) MMP1MMP2MMP3MMP13LMNA

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 CAMK2A 1792/4885CCR5 4349/4885MMP1 3028/4885

“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.