SCHEMBL7463182

SCHEMBL7463182

CC(C)C[C@@H](C=O)NC(=O)c1cnc2ccccc2n1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRN P28799 1/20 0.68
SORT1 Q99523 1/20 0.68
PSMB5 P28074 1/20 0.54
CCR1 P32246 9/20 0.53
SMN1; SMN2 Q16637 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL25756592 0.87 GRN (0.56) GRNSORT1PSMB5CCR1SMN1; SMN2
SCHEMBL7468748 0.84 ALDH1A1 (0.54) GRNSORT1CCR1SMN1; SMN2NPC1
SCHEMBL30606650 0.81 GRN (1.00) GRNSORT1PSMB5CCR1SMN1; SMN2
SCHEMBL24283499 0.81 GRN (1.00) GRNSORT1PSMB5CCR1SMN1; SMN2
SCHEMBL24283500 0.81 GRN (1.00) GRNSORT1PSMB5CCR1SMN1; SMN2
SCHEMBL7463178 0.80 GRN (0.68) GRNSORT1PSMB5CCR1SMN1; SMN2
SCHEMBL12043743 0.80 GRN (0.67) GRNSORT1SMN1; SMN2NPC1RAB9A
SCHEMBL7466235 0.79 PSMB5 (0.51) PSMB5SMN1; SMN2NPC1RAB9A
SCHEMBL29093009 0.78 GRN (0.64) GRNSORT1PSMB5CCR1SMN1; SMN2
SCHEMBL29093013 0.78 GRN (0.64) GRNSORT1PSMB5CCR1SMN1; SMN2

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 GRN 2719/4885SORT1 3907/4885PSMB5 487/4885

“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.