SCHEMBL6580642

SCHEMBL6580642

Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)CN2CC(O)C(NC(=O)[C@H](CC(C)C)NC(=O)c3ccc4c(c3)CCCN4)C2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 3/20 0.37
TP53 P04637 2/20 0.35
CASP1 P29466 1/20 0.35
CASP3 P42574 1/20 0.35
PLAU P00749 1/20 0.35
HPN P05981 1/20 0.35
CTSK P43235 3/20 0.34
TAOK1 Q7L7X3 1/20 0.34
TAOK3 Q9H2K8 1/20 0.34
CAPNS1 P04632 1/20 0.34
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
GLA P06280 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL6580458 0.87 CTSK (0.47) TP53CTSKTAOK1TAOK3CTSL
SCHEMBL6580637 0.87 CAPN1 (0.40) CAPN1CASP1CASP3CTSKTAOK1
SCHEMBL6580531 0.84 CAPN1 (0.41) CAPN1CASP1CASP3PLAUCTSK
SCHEMBL6582333 0.84 PSMB8 (0.41) CAPN1PLAUHPNCTSKCTSL
SCHEMBL6580235 0.78 CASP3 (0.46) CASP1CASP3CTSKCTSLMEN1
SCHEMBL6580608 0.73 CTSK (0.53) CTSKTAOK1TAOK3CTSLCTSS
SCHEMBL6580234 0.70 CTSL (0.49) CAPN1CASP1CASP3CTSKTAOK1
SCHEMBL6580725 0.70 CTSK (0.47) PLAUHPNCTSKCTSLCTSS
SCHEMBL5743704 0.69 CTSK (0.45) CAPN1CASP1CASP3CTSKTAOK1
SCHEMBL6577721 0.69 CTSL (0.47) CAPN1CASP1CASP3CTSKTAOK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040180927-A1 Inhibitors of cysteine protease SMITHKLINE BEECHAM CORPORATION 2004-09-16 US claimed
EP-0936912-B1 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORP (US) 2004-02-11 EP claimed
US-20020128476-A1 Inhibitors of cysteine protease SMITHKLINE BEECHAM CORPORATION 2002-09-12 US claimed
US-20040180927-A1 Inhibitors of cysteine protease SMITHKLINE BEECHAM CORPORATION 2004-09-16 US disclosed
EP-0936912-B1 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORP (US) 2004-02-11 EP disclosed
US-20020128476-A1 Inhibitors of cysteine protease SMITHKLINE BEECHAM CORPORATION 2002-09-12 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 (2 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-20040180927-A1 Inhibitors of cysteine protease CTSK, CTSZ, CTSS CAPN1 81/4885TP53 1696/4885CASP1 131/4885
US-20020128476-A1 Inhibitors of cysteine protease CTRC, RCE1, CTRL CAPN1 178/4885TP53 2462/4885CASP1 144/4885

“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.