SCHEMBL3758014

SCHEMBL3758014

COCNC(=O)[C@H](CCCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.65
CTSS P25774 9/20 0.65
CTSB P07858 3/20 0.56
CTSL P07711 1/20 0.56
MMP1 P03956 2/20 0.53
MMP3 P08254 2/20 0.53
MMP9 P14780 2/20 0.53
AKT1 P31749 1/20 0.49
CA2 P00918 3/20 0.48
CXCR3 P49682 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
CA1 P00915 1/20 0.47
JAK3 P52333 1/20 0.47
BTK Q06187 1/20 0.47

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
SCHEMBL3763891 0.93 CTSS (0.75) CTSKCTSSCTSBCTSLAKT1
SCHEMBL3758017 0.93 CTSS (0.75) CTSKCTSSCTSBCTSLAKT1
SCHEMBL24814567 0.86 MMP3 (0.64) CTSKCTSSCTSBCTSLMMP1
SCHEMBL29178423 0.86 MMP3 (0.64) CTSKCTSSCTSBCTSLMMP1
SCHEMBL6746907 0.86 CTSS (0.74) CTSKCTSSCTSBCTSLAKT1
SCHEMBL3762221 0.86 CTSS (0.74) CTSKCTSSCTSBCTSLAKT1
SCHEMBL7300194 0.84 CTSK (0.60) CTSKCTSSCTSBCTSLMMP1
SCHEMBL1374859 0.84 CTSK (0.63) CTSKCTSSCTSBCTSLMMP1
SCHEMBL346311 0.84 CTSK (0.63) CTSKCTSSCTSBCTSLMMP1
SCHEMBL2781406 0.84 CTSK (0.63) CTSKCTSSCTSBCTSLMMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311798-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS HOFFMANN-LA ROCHE, INC. 2010-12-09 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-20100311798-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS TAAR1, TAAR5, NPY2R CTSK 2354/4885CTSS 3355/4885CTSB 2508/4885

“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.