SCHEMBL4201896

SCHEMBL4201896

CC(C)CC(OC(=O)N1CC[C@@H]2[C@H]1C(=O)CN2C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.59
CTSS P25774 1/20 0.44
PIK3CD O00329 1/20 0.35
POLB P06746 1/20 0.35
ABCB1 P08183 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
MTNR1B P49286 1/20 0.34

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
SCHEMBL4201901 1.00 CTSK (0.59) CTSKCTSSPIK3CDPOLBABCB1
SCHEMBL4207288 1.00 CTSK (0.59) CTSKCTSSPIK3CDPOLBABCB1
SCHEMBL4212871 0.83 CTSK (0.55) CTSKCTSSPIK3CDPOLBABCB1
SCHEMBL5941514 0.81 CTSK (0.64) CTSKCTSSPIK3CDABCB1ABCG2
SCHEMBL4048380 0.81 CTSK (0.64) CTSKCTSSPIK3CDABCB1ABCG2
SCHEMBL5942080 0.79 CTSK (0.88) CTSKCTSS
SCHEMBL5942073 0.79 CTSK (0.88) CTSKCTSS
SCHEMBL4207960 0.79 CTSK (0.51) CTSKCTSS
SCHEMBL4207958 0.79 CTSK (0.51) CTSKCTSS
SCHEMBL4218204 0.78 CTSK (0.59) CTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131502-A1 Biologically active compounds QUIBELL MARTIN 2009-05-21 US disclosed
US-20090131502-A1 Biologically active compounds QUIBELL MARTIN 2009-05-21 US disclosed
US-20090131502-A1 Biologically active compounds QUIBELL MARTIN 2009-05-21 US disclosed
WO-2007023281-A2 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2007-03-01 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 (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-20090131502-A1 Biologically active compounds COLGALT1, SOST, COL1A1 CTSK 116/4885CTSS 52/4885PIK3CD 1107/4885

“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.