SCHEMBL5098778

SCHEMBL5098778

CC(C[CH]C(=O)NC1CCCN(S(=O)(=O)c2ccccc2)C[C@@H]1O)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.44
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.41
USP2 O75604 2/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DPP4 P27487 1/20 0.39

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
SCHEMBL5105397 0.92 ALDH1A1 (0.42) LMNASMN1; SMN2ALDH1A1GAAMEN1
SCHEMBL5092882 0.90 POLB (0.49) LMNASMN1; SMN2ALDH1A1GAAMEN1
SCHEMBL5099322 0.90 AKR1C3 (0.35) CYP2C19SMN1; SMN2ALDH1A1GAAMEN1
SCHEMBL5105628 0.90 ATM (0.47) LMNASMN1; SMN2ALDH1A1GAAHSD17B10
SCHEMBL4693518 0.87 CTSK (0.41) LMNASMN1; SMN2ALDH1A1
SCHEMBL4687256 0.85 CTSK (0.38) CYP2C19ALDH1A1USP2MEN1KMT2A
SCHEMBL5092592 0.84 LMNA (0.36) LMNASMN1; SMN2ALDH1A1GAA
SCHEMBL5096610 0.84 GAA (0.39) LMNASMN1; SMN2ALDH1A1USP2GAA
SCHEMBL5092485 0.81 TP53 (0.47) LMNA
SCHEMBL5105359 0.81 USP2 (0.36) LMNASMN1; SMN2ALDH1A1USP2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7405209-B2 e.g. 2-Benzyloxycarbonylamino-4-methyl-pentanoyl)-3-oxo-azepan-4-ylcarbamoyl}carbamic acid benzyl ester; protease inhibitors like cathepsin K; osteoporosis, osteo- and rheumatoid arthritis and periodontal disease; inhibiting excessive cartilage or matrix degradation SMITHKLINE BEECHAM CORPORATION (US) 2008-07-29 US disclosed
US-20050256104-A1 substituted 1,1,4-1l6-trioxo[1,2]thiazepan-4-ylamide-derived protease inhibitors which inhibit the likes of cathepsin K; treating osteoporosis, osteo- and rheumatoid arthritis and periodontal disease; inhibiting excessive cartilage or matrix degradation SMITHKLINE BEECHAM CORPORATION 2005-11-17 US disclosed
EP-1384713-A1 4-amino-azepan-3-one derivatives as protease inhibitors SmithKline Beecham Corporation (US) 2004-01-28 EP disclosed
US-20040002487-A1 Protease inhibitors MARQUIS ROBERT WELLS (US) 2004-01-01 US disclosed
US-20030225061-A1 Protease inhibitors MARQUIS ROBERT WELLS (US) 2003-12-04 US disclosed
US-20030144175-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-07-31 US disclosed
US-20020147188-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-10-10 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 (5 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-20030225061-A1 Protease inhibitors CTSK, MMP13, CTSZ CYP2C19 626/4885LMNA 2800/4885SMN1; SMN2 4669/4885
US-20050256104-A1 substituted 1,1,4-1l6-trioxo[1,2]thiazepan-4-ylamide-derived protease inhibitors which inhibit the likes of cathepsin K; treating osteoporosis, osteo- and rheumatoid arthritis and periodontal disease; inhibiting excessive cartilage or matrix degradation CTSK, CTSZ, CTSE CYP2C19 1707/4885LMNA 3527/4885SMN1; SMN2 4769/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ CYP2C19 626/4885LMNA 2800/4885SMN1; SMN2 4669/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ CYP2C19 626/4885LMNA 2800/4885SMN1; SMN2 4669/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ CYP2C19 626/4885LMNA 2800/4885SMN1; SMN2 4669/4885

“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.