SCHEMBL7464595

SCHEMBL7464595

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.69
TAS1R1 Q7RTX1 1/20 0.69
PLK1 P53350 1/20 0.59
CCR1 P32246 1/20 0.55
ADAM17 P78536 1/20 0.54
ALOX15 P16050 1/20 0.52
HTT P42858 1/20 0.52
ALDH1A1 P00352 4/20 0.48
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 1/20 0.48
LMNA P02545 1/20 0.47
BCAT1 P54687 1/20 0.46
POLB P06746 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
MAPT P10636 1/20 0.46
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL10273916 1.00 TAS1R3 (0.69) TAS1R3TAS1R1PLK1CCR1ADAM17
SCHEMBL4165636 0.83 TAS1R3 (0.79) TAS1R3TAS1R1PLK1CCR1ADAM17
SCHEMBL27497061 0.82 TAS1R3 (0.67) TAS1R3TAS1R1PLK1CCR1ADAM17
SCHEMBL7472151 0.82 CAPN1 (0.58) CCR1ADAM17HDAC1HDAC2
SCHEMBL4203545 0.81 TAS1R3 (1.00) TAS1R3TAS1R1PLK1CCR1ADAM17
SCHEMBL4203543 0.81 TAS1R3 (1.00) TAS1R3TAS1R1PLK1CCR1ADAM17
SCHEMBL17514270 0.80 TAS1R3 (0.84) TAS1R3TAS1R1PLK1CCR1ADAM17
SCHEMBL31425751 0.79 PLK1 (0.66) TAS1R3TAS1R1PLK1CCR1ADAM17
SCHEMBL30025133 0.79 PLK1 (0.66) TAS1R3TAS1R1PLK1CCR1ADAM17
SCHEMBL17514250 0.77 TAS1R3 (0.69) TAS1R3TAS1R1PLK1CCR1ADAM17

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
US-20020065230-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-05-30 US claimed
EP-0983228-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-08-07 EP disclosed
US-20020065230-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-05-30 US disclosed
EP-0983228-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-03-08 EP disclosed
WO-1998050342-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-12 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-20020065230-A1 Protease inhibitors PRSS1, DNPEP, CTSZ TAS1R3 2410/4885TAS1R1 2189/4885PLK1 1829/4885

“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.