SCHEMBL7164798

SCHEMBL7164798

CC(C)C[C@@H](C(=O)NCC(=O)CNS(=O)(=O)c1ccccc1OCc1ccccc1)[N+](=C=O)c1ccncc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 7/20 0.39
▸ CTSS P25774 4/20 0.35
▸ CTSL P07711 2/20 0.35
▸ NAMPT P43490 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ANPEP P15144 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ PPIA P62937 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ CTSB P07858 1/20 0.31
▸ P2RX7 Q99572 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ ADAMTS4 O75173 1/20 0.31
▸ MMP13 P45452 1/20 0.31

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
SCHEMBL7247887 0.82 HTR6 (0.42) CTSKSMN1; SMN2
SCHEMBL7255553 0.79 CTSK (0.47) CTSKCTSSCTSLANPEPCTSB
SCHEMBL7250673 0.79 CTSK (0.39) CTSKCTSSCTSLNAMPTSMN1; SMN2
SCHEMBL7163217 0.75 CTSK (0.56) CTSKCTSSCTSLCTSB
SCHEMBL7164870 0.74 MMP12 (0.41) CTSKCTSSSMN1; SMN2MMP13
SCHEMBL7165070 0.73 CTSK (0.45) CTSKCTSSCTSLANPEPCTSB
SCHEMBL7163182 0.72 CTSK (0.44) CTSKSMN1; SMN2
SCHEMBL7249673 0.71 KMT2A (0.45) CTSKCTSSCTSLSMN1; SMN2CTSB
SCHEMBL7160715 0.66 LARS1 (0.44) CTSKSMN1; SMN2
SCHEMBL7615037 0.66 CTSK (0.37) CTSKCTSSCTSLCTSBADAMTS4

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-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-20020077455-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-06-20 — — 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 (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-20020173469-A1 Protease inhibitors CTSK, CTSZ, CTSG CTSK 1/4885CTSS 8/4885CTSL 14/4885
US-20020077455-A1 Protease inhibitors CTSK, CTSZ, CTSG CTSK 1/4885CTSS 8/4885CTSL 14/4885

“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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