SCHEMBL7470459

SCHEMBL7470459

CC(C)C[C@@H]([C]=O)NC(=O)c1ccc2ccsc2c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.41
HTR3A P46098 3/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
HSP90AB1 P08238 1/20 0.38
GRN P28799 1/20 0.38
SORT1 Q99523 1/20 0.38
TAS1R3 Q7RTX0 6/20 0.37
TAS1R1 Q7RTX1 6/20 0.37
CTSK P43235 4/20 0.36
MLYCD O95822 1/20 0.35

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
SCHEMBL7468967 0.90 CTNNB1 (0.43) CHRNA7HTR3AGRNSORT1TAS1R3
SCHEMBL21100835 0.80 CHRNA7 (0.48) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL7472149 0.80 CTSK (0.52) TAS1R3TAS1R1CTSK
SCHEMBL27481258 0.79 HPGDS (0.42) GRNSORT1TAS1R3TAS1R1CTSK
SCHEMBL27482719 0.74 NR1H4 (0.46) GRNSORT1TAS1R3TAS1R1CTSK
SCHEMBL7467808 0.74 CTNNB1 (0.41) CHRNA7HTR3ATAS1R3TAS1R1
SCHEMBL7469054 0.73 TAS1R3 (0.54) TAS1R3TAS1R1
SCHEMBL7462265 0.73 CTSL (0.56) CTSKMLYCD
SCHEMBL7463161 0.73 TAS1R3 (0.66) TAS1R3TAS1R1CTSK
SCHEMBL1607014 0.73 CTSB (0.56) CTSK

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
EP-0983228-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-08-07 EP claimed
CN-1255119-A Protease inhibitors SMITHKLINE BEECHAM CORP (US) 2000-05-31 CN claimed
EP-0983228-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-03-08 EP claimed
WO-1998050342-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-12 WO 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
CN-1255119-A Protease inhibitors SMITHKLINE BEECHAM CORP (US) 2000-05-31 CN 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 CHRNA7 4880/4885HTR3A 3239/4885HTR3E 2314/4885

“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.