SCHEMBL493378

SCHEMBL493378

Cc1ccc(S(=O)(=O)N(C)CCOCC(=O)NCC2CCC(C(c3ccc(F)cc3)N(C)C)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
GAA P10253 1/20 0.37
NPC1 O15118 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.37
ALDH1A1 P00352 2/20 0.37
PTGIR P43119 1/20 0.35
TRPA1 O75762 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 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
SCHEMBL493538 0.97 HTT (0.40) KMT2AMEN1POLBSMN1; SMN2HPGD
SCHEMBL492871 0.93 ALDH1A1 (0.38) KMT2AMEN1POLBSMN1; SMN2HPGD
SCHEMBL493376 0.93 ALDH1A1 (0.38) KMT2AMEN1POLBSMN1; SMN2HPGD
SCHEMBL492544 0.93 PTGIR (0.41) KMT2AMEN1POLBSMN1; SMN2HPGD
SCHEMBL492862 0.92 KMT2A (0.42) KMT2AMEN1POLBSMN1; SMN2HPGD
SCHEMBL493379 0.92 KMT2A (0.44) KMT2AHPGDHTTGAANPC1
SCHEMBL493177 0.92 ALDH1A1 (0.38) KMT2AMEN1SMN1; SMN2HTTGAA
SCHEMBL492806 0.92 PTGIR (0.41) KMT2AMEN1SMN1; SMN2HTTTAS2R14
SCHEMBL493346 0.91 HTR6 (0.37) KMT2AMEN1POLBSMN1; SMN2GAA
SCHEMBL493086 0.90 BDKRB1 (0.42) KMT2ASMN1; SMN2HPGDHTTNPC1

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 KMT2A 1749/4885MEN1 4132/4885POLB 2120/4885

“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.