SCHEMBL4178016

SCHEMBL4178016

CC(C)OC(=O)N[C@@H](c1ccccc1F)[C@@H](O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
HTR3A P46098 1/20 0.40
GAA P10253 1/20 0.40
CNR2 P34972 3/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
CNR1 P21554 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL4177618 0.83 CTSS (0.46)
SCHEMBL4186450 0.81 HTT (0.56) HTTGAALMNASMN1; SMN2KMT2A
SCHEMBL4102918 0.81 GAA (0.44) GAACNR2LMNASMN1; SMN2MEN1
SCHEMBL4172742 0.80 HTT (0.39) HTTCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL4186308 0.80 TRPM8 (0.39) HTTLMNASMN1; SMN2HPGDALOX15
SCHEMBL335774 0.78 GAA (0.47) HTTGAACNR2LMNASMN1; SMN2
SCHEMBL335772 0.78 MEN1 (0.39) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL335269 0.75 MEN1 (0.47) GAALMNASMN1; SMN2MEN1KMT2A
SCHEMBL8902251 0.75 GAA (0.44) HTTGAALMNASMN1; SMN2MEN1
SCHEMBL16054881 0.72 GAA (0.46) GAACNR2LMNASMN1; SMN2MEN1

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 2412/4885CHRNB2 1617/4885CHRNB4 1778/4885

“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.