SCHEMBL4843239

SCHEMBL4843239

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

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.79
METAP2 P50579 1/20 0.38
CTSS P25774 2/20 0.37
CPB2 Q96IY4 1/20 0.37
KLKB1 P03952 1/20 0.37
HRH3 Q9Y5N1 3/20 0.37
CTSL P07711 1/20 0.36
BCL2 P10415 1/20 0.36
ACE P12821 1/20 0.36
MMP1 P03956 2/20 0.36
FCER2 P06734 2/20 0.36
NPY5R Q15761 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
P2RX7 Q99572 1/20 0.34
REN P00797 2/20 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
SCHEMBL4844997 0.92 CACNA1B (0.76) CACNA1BMETAP2CTSSCPB2KLKB1
SCHEMBL4847501 0.92 CACNA1B (0.66) CACNA1BCTSSCPB2KLKB1CTSL
SCHEMBL4841903 0.91 CACNA1B (0.81) CACNA1BMETAP2CTSSCPB2KLKB1
SCHEMBL5361319 0.91 CACNA1B (0.85) CACNA1BMETAP2CTSSCPB2KLKB1
SCHEMBL4843186 0.90 CACNA1B (0.78) CACNA1BMETAP2CTSSCPB2KLKB1
SCHEMBL4836018 0.89 CACNA1B (0.78) CACNA1BMETAP2CTSSCPB2KLKB1
SCHEMBL4845051 0.89 CACNA1B (0.70) CACNA1BMETAP2CTSSCPB2KLKB1
SCHEMBL4842850 0.89 CACNA1B (0.77) CACNA1BMETAP2CTSSCPB2KLKB1
SCHEMBL5344510 0.88 CACNA1B (1.00) CACNA1BMETAP2CTSSCPB2KLKB1
SCHEMBL4844835 0.88 CACNA1B (0.78) CACNA1BMETAP2CTSSCPB2KLKB1

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 2/4885METAP2 644/4885CTSS 601/4885

“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.