SCHEMBL5351943

SCHEMBL5351943

CC(C)(C)CC(Nc1cnccn1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 1/20 0.43
▸ RAB9A P51151 6/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ GAA P10253 2/20 0.42
▸ THRB P10828 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GRN P28799 2/20 0.40
▸ SORT1 Q99523 2/20 0.40
▸ KMT2A Q03164 3/20 0.38
▸ LMNA P02545 1/20 0.38
▸ FFAR2 O15552 1/20 0.36
▸ TSHR P16473 1/20 0.36

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
SCHEMBL5351947 1.00 PSMB5 (0.43) PSMB5RAB9ANPC1SMN1; SMN2TP53
SCHEMBL31052861 0.86 GRN (0.42) PSMB5RAB9ANPC1SMN1; SMN2TP53
SCHEMBL18274606 0.83 GAA (0.51) PSMB5RAB9ANPC1SMN1; SMN2TP53
SCHEMBL31052857 0.81 PSMB5 (0.39) PSMB5RAB9ANPC1SMN1; SMN2TP53
SCHEMBL25286452 0.77 LONP1 (0.50) PSMB5SMN1; SMN2NFKB1NFKB2RELA
SCHEMBL29414306 0.77 LONP1 (0.50) PSMB5SMN1; SMN2NFKB1NFKB2RELA
SCHEMBL25286453 0.77 LONP1 (0.50) PSMB5SMN1; SMN2NFKB1NFKB2RELA
SCHEMBL3932153 0.75 PSMB5 (0.61) PSMB5NFKB1NFKB2RELAGAA
SCHEMBL3932148 0.75 PSMB5 (0.61) PSMB5NFKB1NFKB2RELAGAA
SCHEMBL72870 0.74 KDM4E (0.49) PSMB5RAB9ANPC1SMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7307095-B2 Osteoporosis; antiarthritic agents; antidiabetic agents; antiinflammatory agents; Alzheimer's disease; shock; central nervous stsrem disorders; anticancer agents; multiple sclerosis, (S)-2-(Benzooxazol-2-ylamino)-3-cyclohexyl-N-[2-(5-fluoro-2,3-dihydro-indol-1-yl)-ethyl]-propionamide IRM LLC (BM) 2007-12-11 — — US claimed
US-20070123523-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2007-05-31 — — US claimed
US-7173051-B2 Inhibitors of cathepsin S IRM, LLC (BM) 2007-02-06 — — US claimed
US-20050049244-A1 Inhibitors of cathepsin S IRM LLC (BM) 2005-03-03 — — US claimed
WO-2004112709-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-12-29 — — WO claimed
US-7307095-B2 Osteoporosis; antiarthritic agents; antidiabetic agents; antiinflammatory agents; Alzheimer's disease; shock; central nervous stsrem disorders; anticancer agents; multiple sclerosis, (S)-2-(Benzooxazol-2-ylamino)-3-cyclohexyl-N-[2-(5-fluoro-2,3-dihydro-indol-1-yl)-ethyl]-propionamide IRM LLC (BM) 2007-12-11 — — US disclosed
US-20070123523-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2007-05-31 — — US disclosed
US-7173051-B2 Inhibitors of cathepsin S IRM, LLC (BM) 2007-02-06 — — US disclosed
US-20050049244-A1 Inhibitors of cathepsin S IRM LLC (BM) 2005-03-03 — — US disclosed
WO-2004112709-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-12-29 — — 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 (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-20050049244-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ PSMB5 502/4885RAB9A 905/4885NPC1 82/4885
US-20070123523-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ PSMB5 502/4885RAB9A 905/4885NPC1 82/4885

“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.

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