Sugi Predict

Sugi Predict / Compounds / SCHEMBL6580588

SCHEMBL6580588

SCHEMBL6580588

CC(C)C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NC1CCN(Cc2ccccc2)CC1=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 9/20 0.50
▸ KMT2A Q03164 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ CTSL P07711 4/20 0.47
▸ CTSS P25774 3/20 0.47
▸ CTSB P07858 2/20 0.47
▸ CCR4 P51679 2/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ BDKRB1 P46663 1/20 0.45
▸ HTR7 P34969 1/20 0.44
▸ NPY5R Q15761 1/20 0.44
▸ HPN P05981 1/20 0.43
▸ HGFAC Q04756 1/20 0.43
▸ ST14 Q9Y5Y6 1/20 0.43
▸ LARS1 Q9P2J5 1/20 0.43

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
SCHEMBL6577997 0.92 CTSK (0.46) CTSKKMT2AALDH1A1SMN1; SMN2CTSL
SCHEMBL6580239 0.84 KMT2A (0.49) CTSKKMT2AALDH1A1SMN1; SMN2CCR4
SCHEMBL6577777 0.83 CTSK (0.65) CTSKCTSLCTSSCTSB
SCHEMBL6582321 0.82 CTSK (0.51) CTSKCTSLCTSSCTSB
SCHEMBL6580277 0.81 ALDH1A1 (0.45) CTSKKMT2AALDH1A1SMN1; SMN2CTSL
SCHEMBL6577780 0.78 CTSK (0.55) CTSKCTSLCTSSCTSBHPN
SCHEMBL6577972 0.77 CTSK (0.63) CTSKCTSLCTSSCTSB
SCHEMBL6577984 0.75 CTSK (0.64) CTSKCTSLCTSSCTSB
SCHEMBL6582315 0.75 CTSK (0.51) CTSKCTSLCTSSCTSB
SCHEMBL7948476 0.74 LARS1 (0.62) CTSKCTSLCTSSCTSBLARS1

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 9 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
EP-0936912-A4 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORP (US) 1999-10-13 — — EP claimed
EP-0936912-A1 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORPORATION (US) 1999-08-25 — — EP claimed
WO-1998005336-A1 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORPORATION (US) 1998-02-12 — — WO 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 CTSK 1/4885KMT2A 3689/4885ALDH1A1 1682/4885
US-20020128476-A1 Inhibitors of cysteine protease CTRC, RCE1, CTRL CTSK 100/4885KMT2A 4586/4885ALDH1A1 1876/4885

“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.