SCHEMBL4844358

SCHEMBL4844358

COc1ccc(CNC(=O)[C@H](CSCC2CCCCC2)NC(=O)[C@@H]2CSCN2C(=O)CO)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.67
CPB2 Q96IY4 1/20 0.44
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CTSL P07711 4/20 0.37
CTSS P25774 4/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
CTSK P43235 1/20 0.36
KLKB1 P03952 1/20 0.36
GAA P10253 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
SCHEMBL4844475 0.93 CACNA1B (0.66) CACNA1BCPB2ALDH1A1KMT2ANPC1
SCHEMBL5357922 0.92 CACNA1B (0.73) CACNA1BCPB2ALDH1A1KMT2ANPC1
SCHEMBL4846343 0.91 CACNA1B (0.66) CACNA1BCPB2ALDH1A1KMT2ANPC1
SCHEMBL4843186 0.91 CACNA1B (0.78) CACNA1BCPB2CTSLCTSSKLKB1
SCHEMBL4847501 0.90 CACNA1B (0.66) CACNA1BCPB2ALDH1A1KMT2ANPC1
SCHEMBL5345740 0.89 CACNA1B (0.69) CACNA1BCPB2ALDH1A1KMT2ANPC1
SCHEMBL5345727 0.89 CACNA1B (0.69) CACNA1BCPB2ALDH1A1KMT2ANPC1
SCHEMBL5350462 0.89 CACNA1B (0.69) CACNA1BCPB2ALDH1A1KMT2ANPC1
SCHEMBL5349399 0.89 CACNA1B (0.69) CACNA1BCPB2ALDH1A1KMT2ANPC1
SCHEMBL5352312 0.88 CACNA1B (0.85) CACNA1BCPB2ALDH1A1KMT2ANPC1

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 2/4885CPB2 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.