SCHEMBL4843488

SCHEMBL4843488

COc1ccc(CNC(=O)[C@H](C[S+]([O-])CC2CCCCC2)NC(=O)[C@@H]2C[S+]([O-])CN2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 5/20 0.42
LMNA P02545 2/20 0.42
CPB2 Q96IY4 1/20 0.40
CACNA1B Q00975 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
TP53 P04637 1/20 0.35
MMP1 P03956 2/20 0.35
MMP2 P08253 2/20 0.35
MMP3 P08254 2/20 0.35
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
MCL1 Q07820 1/20 0.34

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
SCHEMBL4836117 0.87 CACNA1B (0.51) KMT2AMEN1ALDH1A1LMNACPB2
SCHEMBL5347579 0.86 CACNA1B (0.52) KMT2AMEN1ALDH1A1LMNACPB2
SCHEMBL4836119 0.85 KMT2A (0.46) KMT2AMEN1ALDH1A1LMNACPB2
SCHEMBL5350924 0.82 CACNA1B (0.53) KMT2AMEN1ALDH1A1LMNACPB2
SCHEMBL5347270 0.74 KMT2A (0.58) KMT2AMEN1ALDH1A1LMNACPB2
SCHEMBL5347274 0.74 KMT2A (0.58) KMT2AMEN1ALDH1A1LMNACPB2
SCHEMBL7774665 0.73 MEN1 (0.43) KMT2AMEN1ALDH1A1LMNACACNA1B
SCHEMBL4845114 0.73 CACNA1B (0.48) KMT2AMEN1ALDH1A1LMNACPB2
SCHEMBL14591493 0.72 CACNA1B (0.61) KMT2AMEN1ALDH1A1LMNACPB2
SCHEMBL5345740 0.72 CACNA1B (0.69) KMT2AMEN1ALDH1A1LMNACPB2

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 KMT2A 1156/4885MEN1 302/4885ALDH1A1 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.