SCHEMBL494413

SCHEMBL494413

COc1ccc(S(=O)(=O)N2CCC(OCC(=O)NC3CCC(C(c4ccc(F)cc4)N(C)C)CC3)C2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 3/20 0.42
PKM P14618 3/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
KMT2A Q03164 4/20 0.41
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 3/20 0.40

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
SCHEMBL493142 0.92 EPHX2 (0.43) EPHX2POLBSMN1; SMN2ALDH1A1PKM
SCHEMBL493342 0.92 PKM (0.48) EPHX2POLBSMN1; SMN2ALDH1A1PKM
SCHEMBL493373 0.90 PKM (0.43) EPHX2SMN1; SMN2ALDH1A1PKMHDAC3
SCHEMBL492924 0.89 PKM (0.47) EPHX2POLBSMN1; SMN2ALDH1A1PKM
SCHEMBL493259 0.89 HDAC3 (0.45) EPHX2ALDH1A1PKMHDAC3HDAC4
SCHEMBL492814 0.88 PKM (0.44) EPHX2POLBSMN1; SMN2ALDH1A1PKM
SCHEMBL493187 0.88 PKM (0.44) EPHX2POLBALDH1A1PKMKMT2A
SCHEMBL493323 0.88 PKM (0.46) EPHX2POLBSMN1; SMN2ALDH1A1PKM
SCHEMBL493338 0.86 EPHX2 (0.40) EPHX2POLBSMN1; SMN2ALDH1A1PKM
SCHEMBL492826 0.86 PKM (0.44) EPHX2POLBSMN1; SMN2PKMKMT2A

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 2567/4885POLB 2120/4885SMN1; SMN2 1729/4885

“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.