SCHEMBL5353064

SCHEMBL5353064

CC(C)(C)OC(=O)N[C@@H](CSCC1CCCCC1)C(=O)Nc1ccc(Oc2ccccc2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.44
KMT2A Q03164 5/20 0.42
CACNA1B Q00975 2/20 0.41
GRN P28799 2/20 0.40
SORT1 Q99523 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LTA4H P09960 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39

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
SCHEMBL5351812 0.88 CACNA1B (0.50) METAP2CACNA1BGRNSORT1PPARG
SCHEMBL5754777 0.84 CACNA1B (0.59) METAP2KMT2ACACNA1BGRNSORT1
SCHEMBL5353066 0.82 KMT2A (0.44) KMT2ACACNA1BGRNSORT1NPC1
SCHEMBL4846817 0.81 CACNA1B (0.59) METAP2CACNA1BPPARGPPARACTSS
SCHEMBL5755761 0.81 CACNA1B (0.45) METAP2KMT2ACACNA1BNPC1RAB9A
SCHEMBL12944939 0.76 CACNA1B (0.55) METAP2CACNA1BPPARGPPARACTSS
SCHEMBL5349086 0.75 PSMB1 (0.51) CACNA1BPPARGPPARA
SCHEMBL5353075 0.75 KMT2A (0.48) KMT2ANPC1RAB9ALTA4HGAA
SCHEMBL5353068 0.75 PKM (0.43) KMT2AGRNSORT1NPC1RAB9A
SCHEMBL5353070 0.75 CTSS (0.44) CACNA1BGRNSORT1CTSSCTSK

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
EP-0997147-B1 AMINO ACID DERIVATIVES ONO PHARMACEUTICAL CO (JP) 2006-03-15 EP claimed
US-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 US claimed
EP-0997147-A1 AMINO ACID DERIVATIVES Ono Pharmaceutical Co., Ltd. (JP) 2000-05-03 EP claimed
US-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 US disclosed
US-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 US disclosed
US-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 US disclosed
EP-0997147-B1 AMINO ACID DERIVATIVES ONO PHARMACEUTICAL CO (JP) 2006-03-15 EP disclosed
US-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 US disclosed
EP-0997147-A1 AMINO ACID DERIVATIVES Ono Pharmaceutical Co., Ltd. (JP) 2000-05-03 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-20030013725-A1 Amino acid derivatives CACNA1B, SCN1A, SCN2A METAP2 3239/4885KMT2A 1929/4885CACNA1B 1/4885

“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.