SCHEMBL5351822

SCHEMBL5351822

CC(C1CCCCC1)[C@@H](NC(=O)OC(C)(C)C)C(=S)NCc1ccc(Oc2ccccc2)nc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.41
CYP3A4 P08684 2/20 0.40
GRN P28799 3/20 0.40
SORT1 Q99523 3/20 0.40
REN P00797 3/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
ACACA Q13085 1/20 0.39
HPGDS O60760 1/20 0.37
BACE1 P56817 1/20 0.37
KMT2A Q03164 2/20 0.36
CTSD P07339 1/20 0.36
CTSE P14091 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
SCHEMBL5353068 0.86 PKM (0.43) GRNSORT1KMT2A
SCHEMBL5351816 0.85 GRN (0.43) ACACBCYP3A4GRNSORT1REN
SCHEMBL5349093 0.83 HTR2C (0.45)
SCHEMBL5351828 0.78 KMT2A (0.40) ACACBCYP3A4GRNSORT1OPRM1
SCHEMBL5351812 0.77 CACNA1B (0.50) CYP3A4GRNSORT1REN
SCHEMBL5355130 0.75 BRD4 (0.40) ACACBCYP3A4BACE1KMT2A
SCHEMBL5353066 0.74 KMT2A (0.44) ACACBGRNSORT1ACACAKMT2A
SCHEMBL4846824 0.73 CTSK (0.46) REN
SCHEMBL5348579 0.72 CACNA1B (0.52) ACACBGRNSORT1KMT2A
SCHEMBL1432429 0.72 CYP3A4 (0.42) CYP3A4RENBACE1CTSDCTSE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 US disclosed
US-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 US 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 ACACB 1823/4885CYP3A4 3119/4885GRN 3936/4885

“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.