SCHEMBL4836033

SCHEMBL4836033

COCCN1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.72
CTSS P25774 2/20 0.39
METAP2 P50579 1/20 0.38
CPB2 Q96IY4 1/20 0.37
PTGER4 P35408 2/20 0.37
CTSL P07711 1/20 0.37
KLKB1 P03952 1/20 0.37
HRH3 Q9Y5N1 3/20 0.37
P2RX7 Q99572 1/20 0.36
BCL2 P10415 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CACNA1C Q13936 1/20 0.35
SCN9A Q15858 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
Hydrochloric Acid SCHEMBL4844885 0.99 CACNA1B (0.71) CACNA1BCTSSMETAP2CPB2PTGER4
SCHEMBL4836053 0.92 CACNA1B (0.72) CACNA1BCTSSMETAP2CPB2PTGER4
SCHEMBL4845286 0.91 CACNA1B (0.70) CACNA1BCTSSMETAP2CPB2PTGER4
SCHEMBL4842655 0.91 CACNA1B (0.71) CACNA1BCTSSMETAP2CPB2PTGER4
SCHEMBL4842730 0.90 CACNA1B (0.72) CACNA1BCTSSMETAP2CPB2PTGER4
SCHEMBL4845051 0.90 CACNA1B (0.70) CACNA1BCTSSMETAP2CPB2PTGER4
Hydrochloric Acid SCHEMBL4836808 0.90 CACNA1B (0.72) CACNA1BCTSSMETAP2CPB2PTGER4
SCHEMBL4843400 0.88 CACNA1B (0.66) CACNA1BCTSSMETAP2CPB2PTGER4
SCHEMBL5361319 0.88 CACNA1B (0.85) CACNA1BCTSSMETAP2CPB2CTSL
SCHEMBL4845039 0.88 CACNA1B (0.69) CACNA1BCTSSMETAP2CPB2PTGER4

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 8 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-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 601/4885METAP2 644/4885

“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.