SCHEMBL493594

SCHEMBL493594

COc1cc(C)c(S(=O)(=O)N2CCCC(OCC(=O)NCCC3CCC(C(c4ccc(Cl)cc4)N(C)C)CC3)C2)c(C)c1C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.43
AVPR1A P37288 10/20 0.37
ATM Q13315 1/20 0.35
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX12 P18054 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTR6 P50406 1/20 0.33
AVPR1B P47901 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL494263 0.96 EPHX2 (0.46) EPHX2AVPR1AHTR6AVPR1B
SCHEMBL492839 0.94 EPHX2 (0.37) EPHX2AVPR1AMAPTSMN1; SMN2MEN1
SCHEMBL492889 0.93 EPHX2 (0.44) EPHX2AVPR1AATMMAPTSMN1; SMN2
SCHEMBL493146 0.92 EPHX2 (0.48) EPHX2AVPR1AMEN1KMT2A
SCHEMBL493627 0.90 EPHX2 (0.39) EPHX2MEN1KMT2AHTR6AVPR1B
SCHEMBL493706 0.89 EPHX2 (0.47) EPHX2AVPR1AHTR6AVPR1B
SCHEMBL493386 0.89 EPHX2 (0.36) EPHX2AVPR1AMAPTSMN1; SMN2MEN1
SCHEMBL494055 0.88 EPHX2 (0.38) EPHX2MEN1KMT2A
SCHEMBL493545 0.87 EPHX2 (0.36) EPHX2AVPR1AMAPTSMN1; SMN2MEN1
SCHEMBL492790 0.87 EPHX2 (0.38) EPHX2MAPTSMN1; SMN2MEN1KMT2A

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 EPHX2 2567/4885AVPR1A 537/4885ATM 1904/4885

“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.