SCHEMBL5131640

SCHEMBL5131640

CC(C(=O)O)N(C(=O)OC(C)(C)C)C1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.36
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 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
SCHEMBL4996407 1.00 BTK (0.36) BTKTSHRKMT2AGAA
SCHEMBL2712968 0.98 TSHR (0.37) BTKTSHRKMT2AGAA
SCHEMBL9744380 0.98 TSHR (0.37) BTKTSHRKMT2AGAA
SCHEMBL647264 0.98 TSHR (0.37) BTKTSHRKMT2AGAA
SCHEMBL9744375 0.98 TSHR (0.37) BTKTSHRKMT2AGAA
SCHEMBL4328796 0.98 TSHR (0.37) BTKTSHRKMT2AGAA
SCHEMBL3672475 0.98 BTK (0.36) BTKTSHRKMT2A
Hydrochloric Acid SCHEMBL30546580 0.97 TSHR (0.36) BTKTSHRKMT2AGAA
SCHEMBL2350718 0.93 KMT2A (0.34) BTKKMT2AGAA
SCHEMBL2350728 0.93 KMT2A (0.34) BTKKMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080021025-A1 INHIBITORS OF CATHEPSIN S LIU HONG 2008-01-24 US disclosed
US-7297714-B2 Selective in presence of at least one other cathepsin isozyme; such as (3-cyclopentyl-{[5-(3-fluoro-phenyl)-furan-2-carbonyl]-amino}-propionylamino)-4-oxo-butyric acid IRM LLC (BM) 2007-11-20 US disclosed
EP-1677782-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2006-07-12 EP disclosed
US-20050130959-A1 Inhibitors of cathepsin S IRM LLC (BM) 2005-06-16 US disclosed
WO-2005039496-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2005-05-06 WO disclosed
US-5128448-A Peptide hormones HOFFMAN-LA ROCHE INC. (US) 1992-07-07 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 (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-20080021025-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ BTK 2847/4885TSHR 3750/4885KMT2A 4282/4885
US-20050130959-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ BTK 2847/4885TSHR 3750/4885KMT2A 4282/4885

“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.