SCHEMBL7617864

SCHEMBL7617864

CC(C)C[C@H](NC(=O)c1ccc2ncsc2c1)C(=O)N[C@@H](C)C(O)CNC(=O)Cc1cccc(-c2ccccn2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 5/20 0.43
▸ CTSS P25774 4/20 0.43
▸ CTSB P07858 2/20 0.43
▸ TAS1R3 Q7RTX0 2/20 0.39
▸ TAS1R1 Q7RTX1 2/20 0.39
▸ CCR1 P32246 1/20 0.38
▸ CTSK P43235 3/20 0.37
▸ F2 P00734 1/20 0.37
▸ F10 P00742 1/20 0.37
▸ PRSS1 P07477 1/20 0.37
▸ CTSD P07339 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ PRMT5 O14744 1/20 0.36
▸ WDR77 Q9BQA1 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ TDP1 Q9NUW8 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
SCHEMBL7819709 0.91 CTSL (0.43) CTSLCTSSCTSBTAS1R3TAS1R1
SCHEMBL7461611 0.88 CTSL (0.47) CTSLCTSSCTSBTAS1R3TAS1R1
SCHEMBL7609931 0.88 CTSL (0.43) CTSLCTSSCTSBTAS1R3TAS1R1
SCHEMBL7617860 0.80 CYP3A4 (0.36) CTSLCTSSCTSBTAS1R3TAS1R1
SCHEMBL7611319 0.79 CTSL (0.45) CTSLCTSSCTSBCTSKF2
SCHEMBL6619904 0.79 REN (0.46) CTSLCTSSCTSBCTSKCTSD
SCHEMBL7815927 0.77 CYP3A4 (0.35) CTSLCTSSCTSBTAS1R3TAS1R1
SCHEMBL7473345 0.77 TAS1R3 (0.54) CTSLCTSSCTSBTAS1R3TAS1R1
SCHEMBL6927425 0.76 CTSL (0.55) CTSLCTSSCTSBCTSKCTSV
SCHEMBL7462272 0.75 CTSL (0.50) CTSLCTSSCTSBTAS1R3TAS1R1

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-20020156018-A1 Treatment of parasitic diseases by inhibition of cysteine proteases of the papain superfamily THOMPSON SCOTT KEVIN (US) 2002-10-24 — — 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-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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