SCHEMBL5353070

SCHEMBL5353070

CSN(C(=O)[C@@H](CC1CCCCC1)NC(=O)OC(C)(C)C)c1ccc(Oc2ccccc2)nc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.44
CTSK P43235 3/20 0.44
GRN P28799 2/20 0.41
SORT1 Q99523 2/20 0.41
NPY5R Q15761 1/20 0.41
CYP3A4 P08684 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CACNA1B Q00975 2/20 0.40
REN P00797 8/20 0.39
GPR132 Q9UNW8 1/20 0.38
MMP13 P45452 1/20 0.37
AAK1 Q2M2I8 1/20 0.37

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
SCHEMBL5351826 0.86 CACNA1B (0.43) CTSSCTSKGRNSORT1NPY5R
SCHEMBL5353064 0.75 METAP2 (0.44) CTSSCTSKGRNSORT1CYP3A4
SCHEMBL5353066 0.74 KMT2A (0.44) CTSSCTSKGRNSORT1NPY5R
SCHEMBL5351812 0.74 CACNA1B (0.50) CTSSCTSKGRNSORT1CYP3A4
SCHEMBL5351816 0.74 GRN (0.43) CTSSCTSKGRNSORT1CYP3A4
SCHEMBL5349098 0.73 CACNA1B (0.51) CTSSCTSKCTSLCTSBCACNA1B
SCHEMBL5351306 0.71 CTSS (0.48) CTSSCTSKCYP3A4CTSLCTSB
SCHEMBL1868648 0.69 CTSK (0.62) CTSSCTSKCTSLCTSBCACNA1B
SCHEMBL1868644 0.69 CTSK (0.62) CTSSCTSKCTSLCTSBCACNA1B
SCHEMBL7862381 0.69 CTSS (0.57) CTSSCTSKCTSLCTSBCACNA1B

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 CTSS 1885/4885CTSK 3691/4885GRN 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.