SCHEMBL493229

SCHEMBL493229

O=C(O)COCCNCS(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
P2RY2 P41231 1/20 0.42
NPC1 O15118 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
GAA P10253 3/20 0.40
HTT P42858 1/20 0.40
HSD11B1 P28845 2/20 0.40
MMP1 P03956 1/20 0.39
TBXA2R P21731 1/20 0.39
KMT2A Q03164 3/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL5128116 0.87 ALDH1A1 (0.49) ALDH1A1HSD11B1TBXA2RKMT2A
SCHEMBL493498 0.86 TBXA2R (0.46) ALDH1A1HSD11B1MMP1TBXA2RKMT2A
SCHEMBL493486 0.84 HTT (0.52) ALDH1A1HTTHSD11B1MMP1KMT2A
SCHEMBL493087 0.82 TDP1 (0.43) ALDH1A1KDM4EP2RY2PTGDR2GAA
SCHEMBL493564 0.80 TDP1 (0.36) KDM4EP2RY2PTGDR2TBXA2RKMT2A
SCHEMBL493617 0.80 KMT2A (0.42) ALDH1A1P2RY2GAATBXA2RKMT2A
SCHEMBL5114277 0.78 ALDH1A1 (0.40) ALDH1A1KDM4EPTGDR2HTTKMT2A
SCHEMBL493488 0.78 NPSR1 (0.46) ALDH1A1HTTKMT2A
SCHEMBL5128990 0.78 TBXA2R (0.36) ALDH1A1TBXA2R
SCHEMBL5131591 0.77 P2RY2 (0.38) ALDH1A1P2RY2HTTKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1349/4885KDM4E 2178/4885P2RY2 418/4885

“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.