SCHEMBL4844366

SCHEMBL4844366

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.47
ALDH1A1 P00352 7/20 0.45
CPB2 Q96IY4 1/20 0.42
KMT2A Q03164 5/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.37
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
ATM Q13315 1/20 0.36

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) CACNA1BALDH1A1CPB2KMT2ANPC1
SCHEMBL5357927 0.92 CACNA1B (0.51) CACNA1BALDH1A1CPB2KMT2ANPC1
SCHEMBL4846351 0.91 CACNA1B (0.46) CACNA1BALDH1A1CPB2KMT2ANPC1
SCHEMBL4843189 0.91 CACNA1B (0.56) CACNA1BALDH1A1CPB2NPC1RAB9A
SCHEMBL4847511 0.91 CACNA1B (0.47) CACNA1BALDH1A1CPB2KMT2ANPC1
SCHEMBL5350467 0.89 CACNA1B (0.49) CACNA1BALDH1A1CPB2KMT2ANPC1
SCHEMBL5345730 0.89 CACNA1B (0.49) CACNA1BALDH1A1CPB2KMT2ANPC1
SCHEMBL5345749 0.89 CACNA1B (0.49) CACNA1BALDH1A1CPB2KMT2ANPC1
SCHEMBL5349400 0.89 CACNA1B (0.49) CACNA1BALDH1A1CPB2KMT2ANPC1
SCHEMBL5352315 0.88 CACNA1B (0.62) CACNA1BALDH1A1CPB2KMT2ANPC1

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
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-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 3828/4885CPB2 3070/4885

“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.