SCHEMBL4817548

SCHEMBL4817548

Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)O)C(C)C)C(C)C)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.47
KDM4E B2RXH2 7/20 0.45
ALDH1A1 P00352 7/20 0.45
HPGD P15428 6/20 0.45
HSD17B10 Q99714 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
CA12 O43570 4/20 0.44
CA9 Q16790 4/20 0.44
CA1 P00915 3/20 0.44
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42

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
SCHEMBL31540806 0.91 RAB9A (0.54) TDP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL29543720 0.90 CA1 (0.51) TDP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6916459 0.90 CA1 (0.51) TDP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL29543787 0.89 CA1 (0.53) TDP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL29417443 0.89 MEN1 (0.47) TDP1MEN1KMT2ARAB9A
Acetic Acid SCHEMBL29692755 0.89 CA1 (0.49) TDP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL14050020 0.89 MEN1 (0.47) TDP1MEN1KMT2ARAB9A
SCHEMBL30149754 0.89 TDP1 (0.48) TDP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5269925 0.89 TDP1 (0.48) TDP1KDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL29692698 0.89 MEN1 (0.47) TDP1MEN1KMT2ARAB9A

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-7402606-B2 Derivatives of 1-(oxoaminoacetyl) pentylcarbamate as cathepsin K inhibitors for the treatment of bone loss SMITHKLINE BEECHAM CORPORATION (US) 2008-07-22 US disclosed
US-7288541-B2 Propylcarbamate derivatives as inhibitors of serine and cysteine proteases SMITHKLINE BEECHAM CORPORATION (US) 2007-10-30 US disclosed
US-7282512-B2 Cycloalkyl ketoamides derivatives useful as cathepsin K inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-10-16 US disclosed
US-20050245596-A1 Derivatives of 1-(oxoaminoacetyl) pentylcarbamate as cathepsin k inhibitors for the treatment of bone loss SMITHKLINE BEECHAM CORPORATION 2005-11-03 US disclosed
US-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors SMITHKLINE BEECHAM CORPORATION 2005-05-19 US disclosed
US-20050054819-A1 Cycloalkyl ketoamides derivatives useful as cathepsin k inhibitors SMITHKLINE BEECHAM CORPORATION 2005-03-10 US disclosed
US-20050043368-A1 Propylcarbamate derivatives as inhibitors of serine and cysteine proteases SMITHKLINE BEECHAM CORPORATION 2005-02-24 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 (4 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-20050043368-A1 Propylcarbamate derivatives as inhibitors of serine and cysteine proteases CTSK, CTSB, CTSS TDP1 3646/4885KDM4E 637/4885ALDH1A1 2825/4885
US-20050054819-A1 Cycloalkyl ketoamides derivatives useful as cathepsin k inhibitors CTSK, CTSS, CTSE TDP1 3923/4885KDM4E 466/4885ALDH1A1 4266/4885
US-20050245596-A1 Derivatives of 1-(oxoaminoacetyl) pentylcarbamate as cathepsin k inhibitors for the treatment of bone loss CTSK, CTSB, CTSD TDP1 4262/4885KDM4E 209/4885ALDH1A1 941/4885
US-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors CTSK, CTSE, CTSZ TDP1 3921/4885KDM4E 258/4885ALDH1A1 2900/4885

“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.