SCHEMBL7608375

SCHEMBL7608375

C[C@H](NC(=O)OCc1ccccc1)C(O)CNC(=O)Cc1cccc(-c2ccccn2)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 5/20 0.44
▸ CTSS P25774 5/20 0.44
▸ CTSB P07858 3/20 0.44
▸ FFAR1 O14842 1/20 0.42
▸ ENPP2 Q13822 1/20 0.41
▸ F2 P00734 1/20 0.41
▸ F10 P00742 1/20 0.41
▸ PRSS1 P07477 1/20 0.41
▸ WNT3A P56704 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ CTSK P43235 5/20 0.40
▸ PPARG P37231 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
SCHEMBL7816127 0.89 CTSL (0.44) CTSLCTSSCTSBFFAR1ENPP2
SCHEMBL6620241 0.87 CTSS (0.42) CTSLCTSSCTSBFFAR1F2
SCHEMBL6927161 0.87 CTSS (0.42) CTSLCTSSCTSBFFAR1F2
SCHEMBL7473368 0.85 CTSK (0.52) CTSLCTSSCTSBCTSK
SCHEMBL6670617 0.81 CTSL (0.46) CTSLCTSSCTSBFFAR1WNT3A
SCHEMBL7616026 0.81 CTSL (0.46) CTSLCTSSCTSBFFAR1WNT3A
SCHEMBL6670621 0.81 CTSL (0.46) CTSLCTSSCTSBFFAR1WNT3A
SCHEMBL7611319 0.81 CTSL (0.45) CTSLCTSSCTSBF2F10
SCHEMBL7615379 0.81 CA1 (0.47) CTSLCTSSCTSBFFAR1CTSK
SCHEMBL7468905 0.80 CTSK (0.53) CTSLCTSSCTSBCTSK

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 22/4885CTSS 4/4885CTSB 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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