SCHEMBL16843153

SCHEMBL16843153

CCC(=O)C(Cc1ccc(OC#N)cc1)NC(=O)c1ccc(N=C=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 6/20 0.42
▸ GAA P10253 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CTSS P25774 3/20 0.40
▸ CTSK P43235 3/20 0.40
▸ CTSB P07858 2/20 0.40
▸ CA2 P00918 1/20 0.39
▸ PTPN1 P18031 2/20 0.38
▸ ACACB O00763 1/20 0.36
▸ KLKB1 P03952 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ITGB3 P05106 1/20 0.35
▸ ITGA2B P08514 1/20 0.35

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
SCHEMBL16846618 0.89 PTPN1 (0.45) CTSLGAARAB9ACTSSCTSK
SCHEMBL11921833 0.89 GAA (0.52) CTSLGAARAB9ACTSSCTSK
SCHEMBL11921829 0.87 CTSL (0.45) CTSLGAARAB9ACTSSCTSK
SCHEMBL11906254 0.78 GAA (0.47) CTSLGAARAB9ACTSSCTSK
SCHEMBL19771697 0.78 GAA (0.61) CTSLGAARAB9ACTSSCTSK
SCHEMBL11907538 0.78 GAA (0.55) CTSLGAARAB9ACA2PTPN1
SCHEMBL11926970 0.76 CTSL (0.45) CTSLGAARAB9AL3MBTL1
SCHEMBL12471343 0.76 PTPN1 (0.61) CA2PTPN1ITGB3ITGA2B
SCHEMBL11926048 0.76 GAA (0.51) GAARAB9AL3MBTL1
SCHEMBL11921811 0.75 FOLH1 (0.41) RAB9A

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-20150174290-A1 AMINO ACID DERIVATIVES AND ABSORBABLE POLYMERS THEREFROM BEZWADA BIOMEDICAL LLC (US) 2015-06-25 — — 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-20150174290-A1 AMINO ACID DERIVATIVES AND ABSORBABLE POLYMERS THEREFROM SRRM2, SLC7A1, BCAT2 CTSL 2080/4885GAA 2510/4885RAB9A 3255/4885

“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.

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