SCHEMBL7249673

SCHEMBL7249673

CC(C)C[C@H](NC(=O)C1CCN(C)CC1)C(=O)NCC(=O)CNS(=O)(=O)c1ccccc1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.45
▸ CTSK P43235 3/20 0.43
▸ CTSS P25774 2/20 0.43
▸ CTSL P07711 1/20 0.43
▸ MAPK1 P28482 2/20 0.41
▸ CTSB P07858 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ CASP6 P55212 1/20 0.39
▸ CASP8 Q14790 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ PSMB5 P28074 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 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
SCHEMBL7163217 0.83 CTSK (0.56) CTSKCTSSCTSLCTSB
SCHEMBL7165070 0.81 CTSK (0.45) CTSKCTSSCTSLCTSBCASP1
SCHEMBL7255553 0.79 CTSK (0.47) CTSKCTSSCTSLCTSBCASP1
SCHEMBL7168876 0.75 CTSK (0.45) KMT2ACTSKCTSSCTSLMAPK1
SCHEMBL7164798 0.71 CTSK (0.39) CTSKCTSSCTSLCTSBSMN1; SMN2
SCHEMBL6923765 0.71 SMN1; SMN2 (0.47) KMT2ACTSKCTSSCTSLMAPK1
SCHEMBL7610538 0.71 CTSK (0.56) CTSKCTSSCTSLCTSB
SCHEMBL7250673 0.70 CTSK (0.39) KMT2ACTSKCTSSCTSLSMN1; SMN2
SCHEMBL7163407 0.69 CTSK (0.47) CTSKCTSSCTSLCTSB
SCHEMBL7164468 0.69 CTSK (0.52) CTSKCTSSCTSLCTSBCASP1

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 KMT2A 2970/4885CTSK 1/4885CTSS 8/4885

“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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