SCHEMBL7616420

SCHEMBL7616420

CC(C)C[C@H](NC(=O)NN1CCOCC1)C(=O)NCC(O)CNS(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 4/20 0.44
▸ CTSS P25774 2/20 0.44
▸ CTSL P07711 1/20 0.44
▸ CTSB P07858 1/20 0.44
▸ ADAM33 Q9BZ11 1/20 0.42
▸ TACR2 P21452 11/20 0.42
▸ CA2 P00918 1/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ AIMP2 Q13155 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 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
SCHEMBL7610458 0.88 CTSK (0.57) CTSKCTSSCTSLCTSBTACR2
SCHEMBL7813545 0.82 KMT2A (0.47) CTSKCTSSCTSLCTSBTACR2
SCHEMBL7164038 0.79 CTSK (0.62) CTSKCTSSCTSLCTSB
SCHEMBL7163244 0.78 CTSK (0.46) CTSKCTSSCTSLCA2MMP2
SCHEMBL7244091 0.77 CTSK (0.46) CTSKCTSSCA2MMP2CA9
SCHEMBL7159413 0.77 CTSS (0.57) CTSKCTSSCTSLCTSBAIMP2
SCHEMBL7163920 0.77 TARS1 (0.54) CTSKCTSSCA2MMP2CA9
SCHEMBL7816028 0.74 CA5A (0.56) CTSKCTSSCTSLCTSB
SCHEMBL7168553 0.70 CTSK (0.42) CTSKCTSSCA2MMP2CA9
SCHEMBL7168737 0.70 CTSK (0.67) CTSKCTSSCTSLCA2MMP2

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 CTSK 64/4885CTSS 4/4885CTSL 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.

Send feedback