SCHEMBL5098717

SCHEMBL5098717

Cc1nc(S(=O)(=O)N2CCCC(NC(=O)[CH]CC(C)C(N)=O)[C@@H](O)C2)n[nH]1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32

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
SCHEMBL7485641 0.91 TSHR (0.35) TSHRSMN1; SMN2
SCHEMBL5098802 0.83 CTSK (0.37) TSHR
SCHEMBL5098738 0.81 CACNA1B (0.39) TSHRSMN1; SMN2
SCHEMBL5092592 0.81 LMNA (0.36) SMN1; SMN2
SCHEMBL5098778 0.80 CYP2C19 (0.44) SMN1; SMN2
SCHEMBL4693518 0.80 CTSK (0.41) SMN1; SMN2
SCHEMBL7485646 0.80 TSHR (0.36) TSHRSMN1; SMN2
SCHEMBL5105397 0.80 ALDH1A1 (0.42) TSHRSMN1; SMN2
SCHEMBL5096610 0.79 GAA (0.39) TSHRSMN1; SMN2
SCHEMBL5092485 0.79 TP53 (0.47)

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
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
EP-1307204-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-02 EP 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
EP-1307204-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-05-07 EP disclosed
US-20020147188-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-10-10 US disclosed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 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 (4 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 TSHR 4016/4885SMN1; SMN2 4669/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ TSHR 4016/4885SMN1; SMN2 4669/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ TSHR 4016/4885SMN1; SMN2 4669/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ TSHR 4016/4885SMN1; 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.