SCHEMBL493072

SCHEMBL493072

COc1ccc(S(=O)(=O)N(C)CCOCC(=O)NCC2CCC(C(c3cccs3)N(C)C)CC2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
MAPT P10636 6/20 0.41
KDM4E B2RXH2 3/20 0.40
GAA P10253 3/20 0.38
USP2 O75604 1/20 0.38
KMT2A Q03164 4/20 0.38
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.36
MEN1 O00255 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 2/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
LMNA P02545 2/20 0.35
CYP2D6 P10635 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 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
SCHEMBL492638 0.90 ALDH1A1 (0.45) ALDH1A1GAAPKMHTTLMNA
SCHEMBL492827 0.90 MAPT (0.39) ALDH1A1MAPTKDM4EGAAKMT2A
SCHEMBL493577 0.89 POLB (0.41) ALDH1A1KMT2APKMMEN1L3MBTL1
SCHEMBL492551 0.88 USP2 (0.43) ALDH1A1MAPTGAAUSP2KMT2A
SCHEMBL492497 0.88 MEN1 (0.36) ALDH1A1MAPTKMT2APKMHPGD
SCHEMBL492401 0.88 POLB (0.40) ALDH1A1MAPTPKMSMN1; SMN2HTT
SCHEMBL492502 0.86 BDKRB1 (0.39) ALDH1A1KDM4EKMT2AMEN1HTT
SCHEMBL492699 0.85 PTGIR (0.38) ALDH1A1MAPTKDM4EGAAKMT2A
SCHEMBL493535 0.85 BDKRB1 (0.48)
SCHEMBL492548 0.85 ALDH1A1 (0.39) ALDH1A1MAPTGAAUSP2KMT2A

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 4 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
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US claimed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US 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 ALDH1A1 1349/4885MAPT 1653/4885KDM4E 2178/4885

“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.