SCHEMBL4836055

SCHEMBL4836055

COc1ccc(CNC(=O)[C@H](CSCC2CCCCC2)NC(=O)[C@@H]2CSC(CO)N2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.51
CPB2 Q96IY4 1/20 0.44
ALDH1A1 P00352 7/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.38
CTSL P07711 2/20 0.36
CTSS P25774 2/20 0.36
CASP1 P29466 1/20 0.36
CASP3 P42574 1/20 0.36
CASP8 Q14790 1/20 0.36
CTSK P43235 1/20 0.35
KLKB1 P03952 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
SCHEMBL4836780 0.93 CACNA1B (0.50) CACNA1BCPB2ALDH1A1SMN1; SMN2NPC1
SCHEMBL5353283 0.93 CACNA1B (0.57) CACNA1BCPB2ALDH1A1SMN1; SMN2NPC1
SCHEMBL4846880 0.91 CACNA1B (0.48) CACNA1BCPB2ALDH1A1SMN1; SMN2NPC1
SCHEMBL5755634 0.87 CACNA1B (0.54) CACNA1BCPB2ALDH1A1SMN1; SMN2NPC1
SCHEMBL5354578 0.87 CACNA1B (0.54) CACNA1BCPB2ALDH1A1SMN1; SMN2NPC1
SCHEMBL5344806 0.85 CACNA1B (0.54) CACNA1BCPB2ALDH1A1SMN1; SMN2NPC1
SCHEMBL4845524 0.85 CACNA1B (0.54) CACNA1BCPB2ALDH1A1SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL5343343 0.85 CACNA1B (0.53) CACNA1BCPB2ALDH1A1SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL5363336 0.85 CACNA1B (0.53) CACNA1BCPB2ALDH1A1SMN1; SMN2NPC1
SCHEMBL5345780 0.85 CACNA1B (0.51) CACNA1BCPB2ALDH1A1SMN1; SMN2NPC1

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 7 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
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

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 2/4885CPB2 3070/4885ALDH1A1 3828/4885

“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.