SCHEMBL7165084

SCHEMBL7165084

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)C(N)C(O)CNS(=O)(=O)c1ccc(Oc2cccc(Cl)c2C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.47
▸ HSD11B1 P28845 1/20 0.45
▸ CTSK P43235 11/20 0.42
▸ CTSS P25774 8/20 0.42
▸ CTSL P07711 7/20 0.42
▸ CTSB P07858 2/20 0.42
▸ BCL2L1 Q07817 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ CA5A P35218 1/20 0.41
▸ CA1 P00915 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ CASP1 P29466 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
SCHEMBL5935008 0.90 MAPT (0.46) MAPTHSD11B1CTSKCTSSCTSL
SCHEMBL7165081 0.87 CTSK (0.51) MAPTHSD11B1CTSKCTSSCTSL
SCHEMBL5935007 0.85 CTSK (0.51) MAPTHSD11B1CTSKCTSSCTSL
SCHEMBL5934591 0.74 CASP1 (0.56) CTSKCTSSCTSLCTSBCA5A
SCHEMBL7164038 0.71 CTSK (0.62) CTSKCTSSCTSLCTSBCA5A
SCHEMBL7240364 0.70 CTSK (0.53) CTSKCTSSCTSLCTSBCA5A
SCHEMBL5934721 0.69 CASP1 (0.58) CTSKCTSSCTSLCTSBCA5A
SCHEMBL5934588 0.69 CTSK (0.63) CTSKCTSSCTSLCTSBCA5A
SCHEMBL7816028 0.68 CA5A (0.56) CTSKCTSSCTSLCTSBCA5A
SCHEMBL12750837 0.67 MAPT (0.63) MAPTHSD11B1BCL2L1MCL1

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-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-6284777-B1 BONE DISORDERS SMITHKLINE BEECHAM CORPORATION 2001-09-04 — — 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 MAPT 1072/4885HSD11B1 2999/4885CTSK 1/4885
US-20020077455-A1 Protease inhibitors CTSK, CTSZ, CTSG MAPT 1072/4885HSD11B1 2999/4885CTSK 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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