SCHEMBL7612563

SCHEMBL7612563

CC(C)C[C@H](N)C(=O)N(CC(O)CNC(=O)Cc1cccc(-c2ccccn2)c1)C(=O)c1cccs1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 2/20 0.37
▸ CTSK P43235 1/20 0.37
▸ CTSB P07858 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ PRMT5 O14744 5/20 0.35
▸ WDR77 Q9BQA1 5/20 0.35
▸ CTSD P07339 2/20 0.34
▸ HSPA5 P11021 1/20 0.33
▸ HSPA2 P54652 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CETP P11597 1/20 0.32
▸ SLC6A9 P48067 1/20 0.32
▸ WNT3A P56704 1/20 0.32
▸ CARM1 Q86X55 2/20 0.32
▸ PRMT1 Q99873 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32

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
SCHEMBL7609369 0.87 CTSL (0.37) CTSLCTSKCTSBCTSSCTSD
SCHEMBL7819470 0.84 CTSL (0.38) CTSLCTSKCTSBCTSSPRMT5
SCHEMBL6620163 0.81 HSPA5 (0.49) CTSLCTSKCTSBCTSSPRMT5
SCHEMBL6623377 0.80 CTSL (0.47) CTSLCTSKCTSBCTSSPRMT5
SCHEMBL7812726 0.78 CYP3A4 (0.35) CTSLCTSKCTSBCTSSSLC6A9
Trifluoroacetic Acid SCHEMBL7611852 0.75 CTSL (0.45) CTSLCTSKCTSBCTSSPRMT5
SCHEMBL7611319 0.74 CTSL (0.45) CTSLCTSKCTSBCTSSPRMT5
SCHEMBL7609373 0.74 HSPA5 (0.49) CTSLCTSKCTSBCTSSHSPA5
SCHEMBL7616026 0.73 CTSL (0.46) CTSLCTSKCTSBCTSSPRMT5
SCHEMBL7816461 0.73 CTSL (0.46) CTSLCTSKCTSBCTSSPRMT5

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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