SCHEMBL17754372

SCHEMBL17754372

O=C(NC1(C(=O)OCc2ccccc2)CCCCC1)OC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.52
CTSL P07711 4/20 0.52
CTSB P07858 3/20 0.52
CTSK P43235 4/20 0.48
ALDH1A1 P00352 2/20 0.46
EPHX1 P07099 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42
FKBP1A P62942 1/20 0.41
GAA P10253 1/20 0.41
SGMS2 Q8NHU3 1/20 0.40

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
SCHEMBL16312552 0.91 CTSS (0.48) CTSSCTSLCTSBCTSKALDH1A1
SCHEMBL16312555 0.91 CTSS (0.48) CTSSCTSLCTSBCTSKALDH1A1
Hydrochloric Acid SCHEMBL17683922 0.90 CTSS (0.47) CTSSCTSLCTSBCTSKALDH1A1
SCHEMBL16312551 0.86 CTSS (0.47) CTSSCTSLCTSBCTSKALDH1A1
SCHEMBL16312553 0.83 STS (0.46) CTSSCTSLCTSBCTSK
SCHEMBL1840727 0.83 CTSL (0.48) CTSSCTSLCTSBCTSKALDH1A1
SCHEMBL16391269 0.81 FAAH (0.60) CTSSCTSLCTSBCTSKFAAH
SCHEMBL2707114 0.81 CTSS (0.47) CTSSCTSLCTSBCTSKALDH1A1
SCHEMBL7528358 0.80 CTSL (0.56) CTSSCTSLCTSBCTSKKMT2A
SCHEMBL550418 0.80 CTSL (0.56) CTSSCTSLCTSBCTSKKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9636346-B2 Alpha-oxoacyl amino-caprolactam derivative SEIKAGAKU CORPORATION (JP) 2017-05-02 US disclosed
US-20160375031-A1 ALPHA-OXOACYL AMINO-CAPROLACTAM DERIVATIVE SEIKAGAKU KOGYO CO LTD (JP) 2016-12-29 US disclosed
US-9481707-B2 α-oxoacyl amino-caprolactam derivative SEIKAGAKU CORPORATION (JP) 2016-11-01 US disclosed
US-20160137691-A1 ALPHA-OXOACYL AMINO-CAPROLACTAM DERIVATIVE SEIKAGAKU CORPORATION (JP) 2016-05-19 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 (2 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-20160375031-A1 ALPHA-OXOACYL AMINO-CAPROLACTAM DERIVATIVE OGFRL1, ARGLU1, COL1A1 CTSS 1443/4885CTSL 69/4885CTSB 805/4885
US-20160137691-A1 ALPHA-OXOACYL AMINO-CAPROLACTAM DERIVATIVE COL2A1, ARGLU1, COL1A1 CTSS 1538/4885CTSL 107/4885CTSB 1001/4885

“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.