SCHEMBL7121352

SCHEMBL7121352

CC(C)C(NC(=O)OC(C)(C)C)C(=O)C=[N+]=[N-]

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.48
CTSS P25774 2/20 0.48
CA2 P00918 2/20 0.44
CA1 P00915 1/20 0.44
CA7 P43166 1/20 0.44
PREP P48147 1/20 0.42
TRPA1 O75762 2/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CYP2D6 P10635 1/20 0.40
ELANE P08246 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
SCHEMBL7121346 1.00 CTSK (0.48) CTSKCTSSCA2CA1CA7
SCHEMBL31402214 1.00 CTSK (0.48) CTSKCTSSCA2CA1CA7
SCHEMBL6991042 0.87 CTSK (0.39) CTSKCTSSCA2CA1CA7
SCHEMBL7079069 0.87 CTSK (0.39) CTSKCTSSCA2CA1CA7
SCHEMBL6487635 0.87 CTSK (0.39) CTSKCTSSCA2CA1CA7
SCHEMBL7079066 0.87 CTSK (0.39) CTSKCTSSCA2CA1CA7
SCHEMBL30148499 0.84 CA1 (0.42) CTSKCTSSCA2CA1CA7
SCHEMBL15797149 0.84 CA1 (0.42) CTSKCTSSCA2CA1CA7
SCHEMBL30150868 0.84 CA1 (0.42) CTSKCTSSCA2CA1CA7
SCHEMBL644938 0.79 CTSK (0.51) CTSKCTSSCA2CA1CA7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030207865-A1 Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents DIXON BRIAN R (US) 2003-11-06 US disclosed
US-6353006-B1 TREATMENT OF BONE DISORDERS, OSTEOPOROSIS AND HEALING AGENT BAYER CORPORATION 2002-03-05 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-20030207865-A1 Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents PGR, PGRMC2, PGRMC1 CTSK 4699/4885CTSS 4748/4885CA2 3091/4885

“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.