SCHEMBL7611845

SCHEMBL7611845

CC(C)C[C@H](N)C(=O)NCC(CNC(=O)Cc1cccc(-c2ccccn2)c1)OC(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 2/20 0.42
▸ CTSK P43235 2/20 0.42
▸ CTSB P07858 1/20 0.39
▸ CTSS P25774 1/20 0.39
▸ LARS1 Q9P2J5 7/20 0.37
▸ CTSD P07339 3/20 0.36
▸ WNT3A P56704 2/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ CETP P11597 1/20 0.34

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
SCHEMBL7611850 1.00 CTSL (0.42) CTSLCTSKCTSBCTSSLARS1
Trifluoroacetic Acid SCHEMBL7611852 0.87 CTSL (0.45) CTSLCTSKCTSBCTSSLARS1
SCHEMBL6623377 0.85 CTSL (0.47) CTSLCTSKCTSBCTSSLARS1
SCHEMBL7816008 0.84 CTSK (0.40) CTSLCTSKCTSBCTSSLARS1
SCHEMBL7611319 0.80 CTSL (0.45) CTSLCTSKCTSBCTSSLARS1
SCHEMBL7816461 0.75 CTSL (0.46) CTSLCTSKCTSBCTSSWNT3A
SCHEMBL6670617 0.75 CTSL (0.46) CTSLCTSKCTSBCTSSWNT3A
SCHEMBL7616026 0.75 CTSL (0.46) CTSLCTSKCTSBCTSSWNT3A
SCHEMBL6670621 0.75 CTSL (0.46) CTSLCTSKCTSBCTSSWNT3A
SCHEMBL7819470 0.73 CTSL (0.38) CTSLCTSKCTSBCTSSLARS1

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-20020156018-A1 Treatment of parasitic diseases by inhibition of cysteine proteases of the papain superfamily THOMPSON SCOTT KEVIN (US) 2002-10-24 — — US disclosed
EP-1068304-A4 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORP (US) 2001-05-09 — — EP disclosed
EP-1068304-A1 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORPORATION (US) 2001-01-17 — — EP disclosed
WO-1999053039-A1 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORPORATION (US) 1999-10-21 — — WO 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-20020156018-A1 Treatment of parasitic diseases by inhibition of cysteine proteases of the papain superfamily PEPD, PREP, CPN1 CTSL 22/4885CTSK 64/4885CTSB 35/4885

“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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