SCHEMBL7168876

SCHEMBL7168876

CC(C)C[C@H](NC(=O)C1CCN(C)CC1)C(=O)NCC(=O)CNS(=O)(=O)c1ccc2oc3ccccc3c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 4/20 0.45
▸ KMT2A Q03164 2/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MMP12 P39900 2/20 0.41
▸ MMP13 P45452 2/20 0.41
▸ HSD11B1 P28845 1/20 0.40
▸ CTSS P25774 2/20 0.39
▸ CTSL P07711 2/20 0.38
▸ CTSB P07858 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ PTGDR Q13258 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37

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
SCHEMBL7163984 0.88 CTSK (0.46) CTSKKMT2ASMN1; SMN2KDM4ECYP3A4
SCHEMBL7163435 0.79 CTSK (0.49) CTSKKMT2ASMN1; SMN2KDM4ECYP3A4
SCHEMBL5934907 0.79 CA5A (0.52) CTSKCTSSCTSLCTSB
SCHEMBL7249673 0.75 KMT2A (0.45) CTSKKMT2ASMN1; SMN2CTSSCTSL
SCHEMBL7164870 0.72 MMP12 (0.41) CTSKKMT2ASMN1; SMN2KDM4ECYP3A4
SCHEMBL5934913 0.69 MMP12 (0.47) CTSKKMT2ASMN1; SMN2KDM4ECYP3A4
SCHEMBL27540150 0.69 MMP13 (0.70) KMT2AKDM4EMMP12MMP13MEN1
SCHEMBL4424736 0.69 MMP13 (0.70) KMT2AKDM4EMMP12MMP13MEN1
SCHEMBL8042541 0.68 CASP1 (0.49) CTSKCTSSCTSLCTSB
SCHEMBL5934952 0.68 CA5A (0.51) CTSKMMP12MMP13CTSSCTSL

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 1/4885KMT2A 2970/4885SMN1; SMN2 4791/4885
US-20020077455-A1 Protease inhibitors CTSK, CTSZ, CTSG CTSK 1/4885KMT2A 2970/4885SMN1; SMN2 4791/4885

“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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