SCHEMBL4632062

SCHEMBL4632062

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.42
CTSS P25774 5/20 0.42
CTSL P07711 2/20 0.42
CTSB P07858 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CAPN1 P07384 1/20 0.38
CYP2D6 P10635 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
SCHEMBL4632065 1.00 CTSK (0.42) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL4631179 0.92 CTSK (0.46) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL4631183 0.92 CTSK (0.46) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL2443231 0.85 CTSK (0.43) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL2443227 0.85 CTSK (0.43) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL20095048 0.82 CTSK (0.46) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL20095049 0.82 CTSK (0.49) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL18915424 0.82 CYP1A2 (0.45) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL888719 0.81 CTSK (0.45) CTSKCTSSCTSLCTSBCA1
SCHEMBL7073369 0.81 CTSK (0.47) CTSKCTSSCTSLCTSBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924568-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2008-05-28 EP disclosed
EP-1915351-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2008-04-30 EP disclosed
US-20070032502-A1 Quinazoline derivatives useful in cancer treatment SCHERING CORPORATION 2007-02-08 US disclosed
WO-2007011623-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2007-01-25 WO disclosed
WO-2007011618-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2007-01-25 WO disclosed
US-20070015774-A1 Quinazoline derivatives useful in cancer treatment SCHERING CORPORATION 2007-01-18 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-20070015774-A1 Quinazoline derivatives useful in cancer treatment TP53, TP53BP1, ACIN1 CTSK 1839/4885CTSS 2492/4885CTSL 1702/4885
US-20070032502-A1 Quinazoline derivatives useful in cancer treatment TP53, ACIN1, TP53BP1 CTSK 1836/4885CTSS 2786/4885CTSL 2888/4885

“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.