SCHEMBL6580537

SCHEMBL6580537

CC(C)C[C@H](NC(=O)c1ccc2ncccc2c1)C(=O)NC1CN(Cc2ccccc2)CC1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.55
TAS1R1 Q7RTX1 1/20 0.55
CCR1 P32246 1/20 0.52
CTSK P43235 7/20 0.52
CTSB P07858 1/20 0.52
CASP1 P29466 2/20 0.49
CASP3 P42574 2/20 0.49
CAPN1 P07384 1/20 0.48
UTS2R Q9UKP6 3/20 0.43
HTR3A P46098 1/20 0.43
ADAM17 P78536 1/20 0.42
ACKR3 P25106 1/20 0.41
CASP7 P55210 1/20 0.41
CASP6 P55212 1/20 0.41
CASP8 Q14790 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
ADRA1D P25100 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
SCHEMBL6578205 0.89 CASP1 (0.61) CCR1CTSKCTSBCASP1CASP3
SCHEMBL6581088 0.86 CTSK (0.69) TAS1R3TAS1R1CCR1CTSKCTSB
SCHEMBL6577962 0.85 CASP1 (0.54) CCR1CTSKCTSBCASP1CASP3
SCHEMBL6577971 0.85 CTSK (0.68) TAS1R3TAS1R1CCR1CTSKCTSB
SCHEMBL6580859 0.85 GRN (0.55) CTSKCTSBCASP1CASP3CAPN1
SCHEMBL6578107 0.84 UTS2R (0.52) CTSKCTSBCASP1CASP3CAPN1
SCHEMBL6578056 0.83 TAS1R3 (0.54) TAS1R3TAS1R1CCR1CTSKCTSB
SCHEMBL6578118 0.82 CTSK (0.51) CTSKCTSBCASP1CASP3CAPN1
SCHEMBL6581051 0.82 CASP1 (0.59) CTSKCASP1CASP3CAPN1UTS2R
SCHEMBL6578490 0.82 CTSK (0.48) CTSKCASP1CASP3CAPN1UTS2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2543/4885CCR1 491/4885
US-20020128476-A1 Inhibitors of cysteine protease CTRC, RCE1, CTRL TAS1R3 3402/4885TAS1R1 3393/4885CCR1 62/4885

“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.