SCHEMBL7175172

SCHEMBL7175172

CC(C)C[C@H](NC(=O)CCc1ccccc1)C(=O)NCC(=O)CNS(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 4/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ NTSR1 P30989 2/20 0.47
▸ HTR6 P50406 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ ITGB3 P05106 1/20 0.44
▸ ITGAV P06756 1/20 0.44
▸ KMT2A Q03164 5/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ ADAM17 P78536 2/20 0.42
▸ MMP1 P03956 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ CTSS P25774 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40

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
SCHEMBL7167328 0.86 CTSK (0.56) CTSKSMN1; SMN2NTSR1HTR6KCNH2
SCHEMBL7164468 0.86 CTSK (0.52) CTSKCTSBCTSS
SCHEMBL7167909 0.80 CTSK (0.51) CTSKNTSR1HTR6KCNH2ADAM17
SCHEMBL7169622 0.77 CTSK (0.45) CTSKSMN1; SMN2NTSR1HTR6KCNH2
SCHEMBL7611313 0.76 HDAC1 (0.49) CTSKSMN1; SMN2ITGB3ITGAVKMT2A
SCHEMBL7530060 0.76 CTSK (0.69) CTSKKMT2AMEN1ADAM17MMP1
SCHEMBL7524135 0.75 MMP1 (0.47) CTSKSMN1; SMN2NTSR1ITGB3ITGAV
SCHEMBL7468069 0.75 PPARG (0.64) SMN1; SMN2KMT2AMEN1ALDH1A1POLB
SCHEMBL7163182 0.74 CTSK (0.44) CTSKSMN1; SMN2NTSR1HTR6KCNH2
SCHEMBL7255553 0.73 CTSK (0.47) CTSKCTSBCTSS

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 1/4885SMN1; SMN2 4791/4885NTSR1 4231/4885
US-20020077455-A1 Protease inhibitors CTSK, CTSZ, CTSG CTSK 1/4885SMN1; SMN2 4791/4885NTSR1 4231/4885

“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