SCHEMBL3385092

SCHEMBL3385092

CC(C)(C)OC(=O)NC(CC=O)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 12/20 0.51
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA7 P43166 1/20 0.49
▸ CYP2D6 P10635 1/20 0.44
▸ CTSS P25774 4/20 0.42
▸ ATM Q13315 1/20 0.38
▸ CTSL P07711 1/20 0.37
▸ CTSB P07858 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
SCHEMBL3378599 1.00 CTSK (0.51) CTSKCA1CA2CA7CYP2D6
SCHEMBL18055004 0.82 CA1 (0.67) CTSKCA1CA2CA7CYP2D6
SCHEMBL3375583 0.82 CA1 (0.67) CTSKCA1CA2CA7CYP2D6
SCHEMBL31127632 0.81 CTSK (0.54) CTSKCA1CA2CA7CYP2D6
SCHEMBL73696 0.80 CTSK (0.53) CTSKCA1CA2CA7CYP2D6
SCHEMBL73697 0.80 CTSK (0.53) CTSKCA1CA2CA7CYP2D6
SCHEMBL75827 0.80 CTSK (0.53) CTSKCA1CA2CA7CYP2D6
SCHEMBL24427425 0.79 CA1 (0.53) CTSKCA1CA2CA7CYP2D6
SCHEMBL56783 0.79 CA1 (0.53) CTSKCA1CA2CA7CYP2D6
SCHEMBL56671 0.79 CA1 (0.53) CTSKCA1CA2CA7CYP2D6

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
US-9045496-B2 N-substituted oxazinopteridines and oxazinopteridinones TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-06-02 — — US disclosed
EP-2678342-B1 N-SUBSTITUTED OXAZINOPTERIDINES AND OXAZINOPTERIDINONES TAKEDA PHARMACEUTICAL (JP) 2015-01-07 — — EP disclosed
US-20140309219-A1 N-SUBSTITUTED OXAZINOPTERIDINES AND OXAZINOPTERIDINONES TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) 2014-10-16 — — US disclosed
US-8791107-B2 N-substituted oxazinopteridines and oxazinopteridinones TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-29 — — US disclosed
US-20120220575-A1 N-SUBSTITUTED OXAZINOPTERIDINES AND OXAZINOPTERIDINONES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-30 — — US disclosed
WO-2012000608-A2 NOVEL BETA-AMINOALDEHYDE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR CHEMICAL USE AS REACTIVE INTERMEDIATES GLUESENKAMP KARL-HEINZ (DE) 2012-01-05 — — WO 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-20140309219-A1 N-SUBSTITUTED OXAZINOPTERIDINES AND OXAZINOPTERIDINONES PIK3CD, PIK3CA, AKT2 CTSK 4805/4885CA1 4656/4885CA2 3967/4885
US-20120220575-A1 N-SUBSTITUTED OXAZINOPTERIDINES AND OXAZINOPTERIDINONES PIK3CD, PIK3CA, AKT2 CTSK 4805/4885CA1 4656/4885CA2 3967/4885

“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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