SCHEMBL493577

SCHEMBL493577

Cc1ccc(S(=O)(=O)N(C)CCOCC(=O)NCC2CCC(C(c3cccs3)N(C)C)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 5/20 0.40
MAPK1 P28482 1/20 0.40
NPY5R Q15761 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
PTGIR P43119 2/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL492401 0.93 POLB (0.40) POLBTDP1ALDH1A1NPY5RPKM
SCHEMBL492497 0.93 MEN1 (0.36) POLBTDP1ALDH1A1MEN1KMT2A
SCHEMBL493097 0.92 POLB (0.40) POLBTDP1ALDH1A1MAPK1NPY5R
SCHEMBL492638 0.92 ALDH1A1 (0.45) POLBTDP1ALDH1A1MAPK1PKM
SCHEMBL492498 0.90 CXCR3 (0.42) POLBTDP1ALDH1A1MAPK1PKM
SCHEMBL492983 0.89 BDKRB1 (0.40) MEN1KMT2APKMLMNAL3MBTL1
SCHEMBL493072 0.89 ALDH1A1 (0.41) ALDH1A1MEN1KMT2APKMRAB9A
SCHEMBL492806 0.87 PTGIR (0.41) ALDH1A1MEN1KMT2APTGIRLMNA
SCHEMBL492699 0.86 PTGIR (0.38) TDP1ALDH1A1KMT2APTGIRLMNA
SCHEMBL493535 0.86 BDKRB1 (0.48)

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 POLB 2120/4885TDP1 3893/4885ALDH1A1 1349/4885

“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.