SCHEMBL4844997

SCHEMBL4844997

CC(C)(O)CC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.76
CTSS P25774 2/20 0.38
CPB2 Q96IY4 1/20 0.38
METAP2 P50579 1/20 0.37
CTSL P07711 1/20 0.36
KLKB1 P03952 1/20 0.36
HRH3 Q9Y5N1 2/20 0.35
NPY5R Q15761 1/20 0.35
BCL2 P10415 1/20 0.35
ACE P12821 1/20 0.34
MMP1 P03956 3/20 0.34
FCER2 P06734 2/20 0.34
DPP4 P27487 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
TACR1 P25103 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
REN P00797 1/20 0.33

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
SCHEMBL4843239 0.92 CACNA1B (0.79) CACNA1BCTSSCPB2METAP2CTSL
SCHEMBL4842850 0.91 CACNA1B (0.77) CACNA1BCTSSCPB2METAP2CTSL
SCHEMBL4843186 0.91 CACNA1B (0.78) CACNA1BCTSSCPB2METAP2CTSL
SCHEMBL4836018 0.90 CACNA1B (0.78) CACNA1BCTSSCPB2METAP2CTSL
SCHEMBL4841903 0.90 CACNA1B (0.81) CACNA1BCTSSCPB2METAP2KLKB1
SCHEMBL5361319 0.89 CACNA1B (0.85) CACNA1BCTSSCPB2METAP2CTSL
SCHEMBL4844835 0.89 CACNA1B (0.78) CACNA1BCTSSCPB2METAP2CTSL
SCHEMBL4845051 0.88 CACNA1B (0.70) CACNA1BCTSSCPB2METAP2CTSL
SCHEMBL4840074 0.87 CACNA1B (0.73) CACNA1BCTSSCPB2METAP2CTSL
SCHEMBL5344510 0.86 CACNA1B (1.00) CACNA1BCTSSCPB2METAP2CTSL

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 9 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-7427634-B2 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. (JP) 2008-09-23 US disclosed
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
EP-1097929-A1 AMINO ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-05-09 EP 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 2/4885CTSS 601/4885CPB2 3070/4885

“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.