SCHEMBL4186450

SCHEMBL4186450

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

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
KEAP1 Q14145 4/20 0.43
NFE2L2 Q16236 4/20 0.43
HPGD P15428 2/20 0.40
HDAC1 Q13547 1/20 0.40
ALOX15 P16050 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 3/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 1/20 0.39
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
LTA4H P09960 1/20 0.37
ANPEP P15144 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL4178016 0.81 HTT (0.44) HTTHPGDALOX15ALDH1A1LMNA
SCHEMBL7087412 0.80 CTSK (0.51)
SCHEMBL12070284 0.80 CTSK (0.51)
SCHEMBL144832 0.80 CTSK (0.51)
SCHEMBL9994204 0.80 ATM (0.47) HTTKEAP1NFE2L2HPGDLMNA
SCHEMBL6166 0.80 CTSK (0.51)
SCHEMBL767076 0.80 CTSK (0.51)
SCHEMBL16587924 0.80 ATM (0.47) HTTKEAP1NFE2L2HPGDLMNA
SCHEMBL335777 0.80 CTSK (0.51)
SCHEMBL13363641 0.80 CTSK (0.51)

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 2412/4885KEAP1 947/4885NFE2L2 247/4885

“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.