SCHEMBL4186353

SCHEMBL4186353

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
MAPK1 P28482 2/20 0.35
KMT2A Q03164 3/20 0.34
KEAP1 Q14145 4/20 0.34
NFE2L2 Q16236 4/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 1/20 0.34
CTSK P43235 2/20 0.34
ROCK2 O75116 1/20 0.34
HDAC1 Q13547 1/20 0.33
BTN3A1 O00481 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TACR3 P29371 1/20 0.33
KCNJ11 Q14654 1/20 0.33

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
SCHEMBL4179331 0.86 CTSK (0.44) CTSK
SCHEMBL4185708 0.82 LMNA (0.50) MAPK1KMT2AMEN1LMNAHDAC1
SCHEMBL7743269 0.77 CTSK (0.43) CTSKALDH1A1
SCHEMBL31477252 0.77 CTSK (0.43) KMT2AMEN1CTSKALDH1A1
SCHEMBL7750570 0.77 CTSK (0.43) CTSKALDH1A1
SCHEMBL7747431 0.76 CTSK (0.42) CTSKALDH1A1
SCHEMBL31477520 0.75 KMT2A (0.42) KMT2AMEN1LMNABTN3A1ALDH1A1
SCHEMBL4186450 0.74 HTT (0.56) HTTMAPK1KMT2AKEAP1NFE2L2
SCHEMBL5839863 0.73 CYP2D6 (0.39) MAPK1KMT2AMEN1LMNA
SCHEMBL3780925 0.72 CTSK (0.43) CTSKALDH1A1

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 HTT 2412/4885MAPK1 1653/4885KMT2A 950/4885

“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.