SCHEMBL4846351

SCHEMBL4846351

COc1ccc(CNC(=S)[C@@H](CCC2CCCCC2)NC(=O)[C@@H]2CSCN2C(=O)COC(C)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.46
ALDH1A1 P00352 8/20 0.46
KMT2A Q03164 5/20 0.42
CPB2 Q96IY4 1/20 0.40
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 3/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.35
ATM Q13315 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
SCHEMBL4844481 0.93 CACNA1B (0.46) CACNA1BALDH1A1KMT2ACPB2CTSL
SCHEMBL4844846 0.92 CACNA1B (0.56) CACNA1BALDH1A1KMT2ACPB2CTSS
SCHEMBL4844366 0.91 CACNA1B (0.47) CACNA1BALDH1A1KMT2ACPB2CTSL
SCHEMBL5357927 0.89 CACNA1B (0.51) CACNA1BALDH1A1KMT2ACPB2CTSL
SCHEMBL4847511 0.88 CACNA1B (0.47) CACNA1BALDH1A1KMT2ACPB2CTSL
SCHEMBL5352315 0.87 CACNA1B (0.62) CACNA1BALDH1A1KMT2ACPB2CTSL
SCHEMBL5350467 0.86 CACNA1B (0.49) CACNA1BALDH1A1KMT2ACPB2CTSL
SCHEMBL5345730 0.86 CACNA1B (0.49) CACNA1BALDH1A1KMT2ACPB2CTSL
SCHEMBL5349400 0.86 CACNA1B (0.49) CACNA1BALDH1A1KMT2ACPB2CTSL
SCHEMBL5345749 0.86 CACNA1B (0.49) CACNA1BALDH1A1KMT2ACPB2CTSL

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 6 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-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 2/4885ALDH1A1 3828/4885KMT2A 1156/4885

“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.