SCHEMBL6620163

SCHEMBL6620163

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HSPA5 P11021 4/20 0.49
▸ HSPA2 P54652 2/20 0.49
▸ CTSL P07711 6/20 0.47
▸ CTSS P25774 5/20 0.47
▸ CTSB P07858 4/20 0.47
▸ CTSK P43235 5/20 0.41
▸ HSPA1A P0DMV8 1/20 0.41
▸ HSPA9 P38646 1/20 0.41
▸ PRMT5 O14744 4/20 0.39
▸ WDR77 Q9BQA1 4/20 0.39
▸ CTSV O60911 2/20 0.39
▸ PSMB5 P28074 1/20 0.38
▸ HPGD P15428 1/20 0.38

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
SCHEMBL7609373 0.90 HSPA5 (0.49) HSPA5HSPA2CTSLCTSSCTSB
SCHEMBL7813672 0.86 HSPA5 (0.49) HSPA5HSPA2CTSLCTSSCTSB
SCHEMBL7470442 0.85 CTSL (0.47) CTSLCTSSCTSBCTSKPRMT5
SCHEMBL7806106 0.85 HSPA5 (0.49) HSPA5HSPA2CTSLCTSSCTSB
SCHEMBL6623377 0.83 CTSL (0.47) CTSLCTSSCTSBCTSKPRMT5
SCHEMBL6929841 0.82 REN (0.45) CTSLCTSSCTSBCTSK
SCHEMBL7473368 0.82 CTSK (0.52) CTSLCTSSCTSBCTSK
SCHEMBL7612563 0.81 CTSL (0.37) HSPA5HSPA2CTSLCTSSCTSB
Trifluoroacetic Acid SCHEMBL7611852 0.78 CTSL (0.45) CTSLCTSSCTSBCTSKPRMT5
SCHEMBL7463889 0.77 CTSL (0.49) CTSLCTSSCTSBCTSKCTSV

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1067894-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-09-08 — — EP disclosed
US-6518267-B1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-02-11 — — US disclosed
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-1067894-A2 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-01-17 — — EP disclosed
WO-1999059526-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-25 — — 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 HSPA5 866/4885HSPA2 1923/4885CTSL 22/4885

“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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