SCHEMBL7169622

SCHEMBL7169622

CC(=O)N(c1ccccc1)[C@@H](CC(C)C)C(=O)NCC(=O)CNS(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 2/20 0.45
▸ HTR6 P50406 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SLC40A1 Q9NP59 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ ADAM17 P78536 3/20 0.41
▸ MMP1 P03956 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ PPARG P37231 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ NTSR1 P30989 2/20 0.40
▸ ALOX15 P16050 1/20 0.39
▸ KCNA5 P22460 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
SCHEMBL7241696 0.94 CTSK (0.41) CTSKHTR6KCNH2SMN1; SMN2ALDH1A1
SCHEMBL7564589 0.88 KMT2A (0.50) HTR6KCNH2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL7163876 0.85 HTR6 (0.43) CTSKHTR6KCNH2ALDH1A1KMT2A
SCHEMBL7167328 0.83 CTSK (0.56) CTSKHTR6KCNH2SMN1; SMN2MEN1
SCHEMBL7250673 0.79 CTSK (0.39) CTSKSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL7175172 0.77 CTSK (0.53) CTSKHTR6KCNH2SMN1; SMN2ALDH1A1
SCHEMBL7164468 0.76 CTSK (0.52) CTSK
SCHEMBL7468069 0.76 PPARG (0.64) SMN1; SMN2ALDH1A1MEN1KMT2APOLB
SCHEMBL7163182 0.75 CTSK (0.44) CTSKHTR6KCNH2SMN1; SMN2ALDH1A1
SCHEMBL7159422 0.75 CTSK (0.56) CTSKSMN1; SMN2ALDH1A1MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6586466-B2 Enzyme inhibitor for use in the treatment of bone, oral, arthritic, paget's and hypercalcemic diseases SMITHKLINE BEECHAM CORPORATION 2003-07-01 — — US disclosed
US-6562842-B2 Osteoporosis, oral diseases SMITHKLINE BEECHAM CORPORATION 2003-05-13 — — US disclosed
US-20020173469-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-11-21 — — US disclosed
US-6331542-B1 TREATING DISEASES CHARACTERIZED BY BONE LOSS OR EXCESSIVE CARTILAGE OR MATRIX DEGRADATION SMITHKLINE BEECHAM CORPORATION 2001-12-18 — — US disclosed
US-6284777-B1 BONE DISORDERS SMITHKLINE BEECHAM CORPORATION 2001-09-04 — — US disclosed
US-6232342-B1 CATHEPSIN K INHIBITOR FOR TREATING OSTEOPOROSIS, GINGIVITIS, PERIODONTITIS, ARTHRITIS, OSTEOARTHRITIS RHEUMATOID ARTHRITIS, PAGET'S DISEASE, HYPERCALCEMIA OF MALIGNANCY AND METABOLIC BONE DISEASES SMITHKLINE BEECHAM CORPORATION 2001-05-15 — — US disclosed
US-6057362-A Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2000-05-02 — — US disclosed
US-5998470-A Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1999-12-07 — — 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 (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-20020173469-A1 Protease inhibitors CTSK, CTSZ, CTSG CTSK 1/4885HTR6 3754/4885KCNH2 4289/4885

“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.

Send feedback