SCHEMBL493423

SCHEMBL493423

Cc1ccc(S(=O)(=O)N2CCC(OCC(=O)NCC3CCC(C(c4cccc(F)c4)N(C)C)CC3)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCL5 P13501 1/20 0.38
TP53 P04637 1/20 0.37
OPRD1 P41143 3/20 0.37
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 5/20 0.36
MEN1 O00255 3/20 0.36
CYP3A4 P08684 2/20 0.36
NPC1 O15118 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
OPRK1 P41145 1/20 0.35
MAPT P10636 1/20 0.35
ATM Q13315 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
USP5 P45974 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
SCHEMBL492510 0.96 ALDH1A1 (0.41) CCL5ALDH1A1KMT2AMEN1NPC1
SCHEMBL493582 0.94 ALDH1A1 (0.42) CCL5TP53ALDH1A1KMT2AMEN1
SCHEMBL492941 0.94 KMT2A (0.42) CCL5ALDH1A1KMT2AMEN1NPC1
SCHEMBL492661 0.93 KMT2A (0.37) CCL5TP53OPRD1ALDH1A1KMT2A
SCHEMBL492469 0.91 KMT2A (0.43) TP53ALDH1A1KMT2AMEN1CYP3A4
SCHEMBL494257 0.91 KMT2A (0.42) OPRD1ALDH1A1KMT2AMEN1CYP3A4
SCHEMBL493249 0.91 EPHX2 (0.42) KMT2AMEN1
SCHEMBL492607 0.90 HDAC3 (0.41) ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL493406 0.90 POLB (0.40) CCL5ALDH1A1KMT2AMEN1NPC1
SCHEMBL493569 0.90 PKM (0.42) CCL5ALDH1A1KMT2AMEN1L3MBTL1

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 CCL5 3564/4885TP53 4136/4885OPRD1 8/4885

“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.