SCHEMBL7163876

SCHEMBL7163876

CC(=O)N(c1cc(F)ccc1F)[C@@H](CC(C)C)C(=O)NCC(=O)CNS(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 2/20 0.43
▸ KCNH2 Q12809 2/20 0.43
▸ CTSK P43235 2/20 0.40
▸ MMP1 P03956 2/20 0.38
▸ ADAM17 P78536 2/20 0.38
▸ POLB P06746 1/20 0.37
▸ NTSR1 P30989 2/20 0.37
▸ PPARG P37231 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SLC40A1 Q9NP59 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ALOX15 P16050 1/20 0.36

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
SCHEMBL7169622 0.85 CTSK (0.45) HTR6KCNH2CTSKMMP1ADAM17
SCHEMBL7241696 0.84 CTSK (0.41) HTR6KCNH2CTSKMMP1ADAM17
SCHEMBL7167909 0.80 CTSK (0.51) HTR6KCNH2CTSKMMP1ADAM17
SCHEMBL7564589 0.74 KMT2A (0.50) HTR6KCNH2MMP1ADAM17POLB
SCHEMBL7167328 0.73 CTSK (0.56) HTR6KCNH2CTSKMMP1ADAM17
SCHEMBL7468069 0.72 PPARG (0.64) POLBPPARGALDH1A1KMT2AALOX15
SCHEMBL7175172 0.71 CTSK (0.53) HTR6KCNH2CTSKMMP1ADAM17
SCHEMBL7163182 0.69 CTSK (0.44) HTR6KCNH2CTSKMMP1ADAM17
SCHEMBL7247887 0.69 HTR6 (0.42) HTR6KCNH2CTSKMMP1ADAM17
SCHEMBL7164468 0.69 CTSK (0.52) CTSK

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 HTR6 3754/4885KCNH2 4289/4885CTSK 1/4885
US-20020077455-A1 Protease inhibitors CTSK, CTSZ, CTSG HTR6 3754/4885KCNH2 4289/4885CTSK 1/4885

“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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