SCHEMBL7241696

SCHEMBL7241696

CC(=O)N(c1ccncc1)[C@@H](CC(C)C)C(=O)NCC(=O)CNS(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ MMP1 P03956 2/20 0.41
▸ ADAM17 P78536 2/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ PPARG P37231 1/20 0.40
▸ HTR6 P50406 2/20 0.40
▸ KCNH2 Q12809 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SLC40A1 Q9NP59 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NTSR1 P30989 1/20 0.38

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 0.94 CTSK (0.45) CTSKPOLBMMP1ADAM17KMT2A
SCHEMBL7163876 0.84 HTR6 (0.43) CTSKPOLBMMP1ADAM17KMT2A
SCHEMBL7564589 0.82 KMT2A (0.50) POLBMMP1ADAM17KMT2APPARG
SCHEMBL7250673 0.81 CTSK (0.39) CTSKKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL7167328 0.79 CTSK (0.56) CTSKPOLBMMP1ADAM17KMT2A
SCHEMBL7247887 0.78 HTR6 (0.42) CTSKPOLBMMP1ADAM17KMT2A
SCHEMBL7159422 0.77 CTSK (0.56) CTSKMMP1ALDH1A1SMN1; SMN2
SCHEMBL7468069 0.75 PPARG (0.64) POLBKMT2APPARGHSD17B10ALDH1A1
SCHEMBL7175172 0.73 CTSK (0.53) CTSKPOLBMMP1ADAM17KMT2A
SCHEMBL7163182 0.73 CTSK (0.44) CTSKPOLBMMP1ADAM17KMT2A

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 7 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-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 (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-20020077455-A1 Protease inhibitors CTSK, CTSZ, CTSG CTSK 1/4885POLB 3425/4885MMP1 22/4885

“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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