SCHEMBL6832343

SCHEMBL6832343

NC(=O)C1(C(=O)NC2CCCN(S(=O)(=O)c3ccccn3)CC2O)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 7/20 0.38
CTSS P25774 7/20 0.38
CTSK P43235 7/20 0.38
CTSB P07858 5/20 0.38
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
CCR6 P51684 1/20 0.36
CTSV O60911 1/20 0.35
MAPK1 P28482 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
SCHEMBL6832344 0.89 CTSK (0.37) CTSLCTSSCTSKCTSBALDH1A1
SCHEMBL4317769 0.85 CTSK (0.42) CTSLCTSSCTSKCTSBCTSV
SCHEMBL4323929 0.85 CTSK (0.42) CTSLCTSSCTSKCTSBCTSV
SCHEMBL4323933 0.85 CTSK (0.42) CTSLCTSSCTSKCTSBCTSV
SCHEMBL6838419 0.82 CTSK (0.52) CTSLCTSSCTSKCTSBCTSV
SCHEMBL6836232 0.82 CTSK (0.52) CTSLCTSSCTSKCTSBCTSV
SCHEMBL6838157 0.82 CTSK (0.52) CTSLCTSSCTSKCTSBCTSV
SCHEMBL5099022 0.81 CTSK (0.53) CTSLCTSSCTSKCTSBCTSV
SCHEMBL6835425 0.80 ALOX5AP (0.36) CTSLCTSSCTSKALDH1A1KDM4E
SCHEMBL5096645 0.77 CTSK (0.37) CTSLCTSSCTSKCTSBALDH1A1

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-20040038965-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2004-02-26 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-20040038965-A1 Protease inhibitors CTSK, CTSZ, CTSE CTSL 14/4885CTSS 6/4885CTSK 1/4885

“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.