SCHEMBL4179331

SCHEMBL4179331

CC(C)(C)OC(=O)N[C@@H](c1ccccc1)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.44
CTSS P25774 3/20 0.44
ATM Q13315 2/20 0.42
MAPT P10636 2/20 0.40
GABRB1 P18505 1/20 0.40
GABRB2 P47870 1/20 0.40
PPARA Q07869 5/20 0.40
PPARG P37231 4/20 0.40
ACE P12821 1/20 0.39
PPARD Q03181 2/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 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
SCHEMBL31477252 0.90 CTSK (0.43) CTSKCTSSATMMAPTGABRB1
SCHEMBL7743269 0.90 CTSK (0.43) CTSKCTSSATMMAPTGABRB1
SCHEMBL7750570 0.90 CTSK (0.43) CTSKCTSSATMMAPTGABRB1
SCHEMBL7747431 0.89 CTSK (0.42) CTSKCTSSATMMAPTGABRB1
SCHEMBL4186353 0.86 HTT (0.49) CTSK
SCHEMBL3780925 0.85 CTSK (0.43) CTSKCTSSATMMAPTGABRB1
SCHEMBL8563008 0.84 CTSK (0.46) CTSKCTSSATMMAPTGABRB1
SCHEMBL4185708 0.84 LMNA (0.50) MAPT
SCHEMBL17846808 0.81 MAPT (0.47) CTSKCTSSATMMAPTGABRB1
SCHEMBL17846807 0.81 MAPT (0.47) CTSKCTSSATMMAPTGABRB1

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-20090186868-A1 Taxane Compound Having Azetidine Ring Structure DAIICHI SANKYO COMPANY LIMITED (JP) 2009-07-23 US disclosed
EP-1942109-A1 TAXANE COMPOUND WITH AZETIDINE RING STRUCTURE Daiichi Sankyo Company, Limited (JP) 2008-07-09 EP 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-20090186868-A1 Taxane Compound Having Azetidine Ring Structure ABCC1, AZI2, TPD52L2 CTSK 4401/4885CTSS 4449/4885ATM 1936/4885

“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.