SCHEMBL4842941

SCHEMBL4842941

O=C(N[C@H](CCC1CCCCC1)C(=S)NCc1ccc(Oc2ccccc2)cc1)[C@@H]1CSCN1CC(=O)N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.48
MAPK14 Q16539 1/20 0.41
HRH3 Q9Y5N1 3/20 0.38
CTSS P25774 10/20 0.38
CTSL P07711 6/20 0.38
CTSK P43235 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
CTSB P07858 2/20 0.36
TMPRSS11D O60235 1/20 0.35
TP53 P04637 1/20 0.35
BCL2 P10415 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
Hydrochloric Acid SCHEMBL4839612 0.99 CACNA1B (0.47) CACNA1BMAPK14HRH3CTSSCTSL
SCHEMBL4842751 0.89 CACNA1B (0.51) CACNA1BMAPK14HRH3ALDH1A1HTT
Hydrochloric Acid SCHEMBL4836820 0.89 CACNA1B (0.51) CACNA1BMAPK14HRH3ALDH1A1HTT
SCHEMBL4842922 0.88 CACNA1B (0.53) CACNA1BMAPK14HRH3CTSSCTSL
SCHEMBL4836062 0.86 CACNA1B (0.51) CACNA1BMAPK14HRH3ALDH1A1HTT
SCHEMBL4842928 0.85 CACNA1B (0.67) CACNA1BMAPK14HRH3CTSSCTSL
SCHEMBL4842665 0.85 CACNA1B (0.50) CACNA1BMAPK14HRH3ALDH1A1HTT
Hydrochloric Acid SCHEMBL4839604 0.85 CACNA1B (0.66) CACNA1BMAPK14HRH3CTSSCTSL
SCHEMBL4836043 0.84 CACNA1B (0.51) CACNA1BMAPK14HRH3CTSSCTSL
SCHEMBL4845065 0.84 CACNA1B (0.51) CACNA1BMAPK14HRH3ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7427634-B2 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. (JP) 2008-09-23 US claimed
US-20050009890-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. 2005-01-13 US claimed
EP-1097929-A1 AMINO ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-05-09 EP claimed
US-7427634-B2 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. (JP) 2008-09-23 US disclosed
US-6903119-B1 Amino acid derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-06-07 US disclosed
US-20050009890-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. 2005-01-13 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-20050009890-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them CACNA1I, CACNA1B, CACNA1A CACNA1B 2/4885MAPK14 1528/4885HRH3 1526/4885

“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.