Sugi Predict

Sugi Predict / Compounds / SCHEMBL6578056

SCHEMBL6578056

SCHEMBL6578056

CC(C)CCCN1CCC(NC(=O)[C@H](CC(C)C)NC(=O)c2ccc3ncccc3c2)C(O)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 1/20 0.54
▸ TAS1R1 Q7RTX1 1/20 0.54
▸ CASP1 P29466 1/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ HTR3A P46098 1/20 0.45
▸ CTSK P43235 7/20 0.44
▸ CTSB P07858 1/20 0.44
▸ HTR2A P28223 2/20 0.43
▸ DRD3 P35462 2/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ ADRA2A P08913 1/20 0.43
▸ ADRA2B P18089 1/20 0.43
▸ ADRA2C P18825 1/20 0.43
▸ ADRA1D P25100 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ HRH1 P35367 1/20 0.43
▸ ADRA1B P35368 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ CCR1 P32246 1/20 0.42
▸ ADAM17 P78536 1/20 0.41

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
SCHEMBL6578249 0.85 CTSK (0.58) TAS1R3TAS1R1HTR3ACTSKCTSB
SCHEMBL6578322 0.84 CTSK (0.52) CASP1CASP3CTSKADAM17CAPN1
SCHEMBL6580733 0.83 CTSK (0.52) CTSKCTSBCAPN1UTS2R
SCHEMBL6580377 0.83 UTS2R (0.54) CASP1CASP3CTSKKCNH2CAPN1
SCHEMBL6580537 0.83 TAS1R3 (0.55) TAS1R3TAS1R1CASP1CASP3HTR3A
SCHEMBL6580255 0.82 CTSK (0.46) CASP1CASP3CTSKKCNH2CAPN1
SCHEMBL6578504 0.82 UTS2R (0.45) CASP1CASP3CTSKHTR2ADRD3
SCHEMBL6580365 0.81 UTS2R (0.55) CASP1CASP3CTSKCTSBHTR2A
SCHEMBL6841726 0.79 CTSL (0.55) TAS1R3TAS1R1CASP1CASP3CTSK
SCHEMBL6581051 0.78 CASP1 (0.59) CASP1CASP3CTSKCAPN1UTS2R

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 TAS1R3 3747/4885TAS1R1 2543/4885CASP1 131/4885
US-20020128476-A1 Inhibitors of cysteine protease CTRC, RCE1, CTRL TAS1R3 3402/4885TAS1R1 3393/4885CASP1 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.