SCHEMBL4172756

SCHEMBL4172756

COc1ccc(N2C(=O)[C@](C)(OCc3ccccc3)[C@@H]2CF)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.50
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MCOLN3 Q8TDD5 1/20 0.45
SOAT1 P35610 3/20 0.43
KCNH2 Q12809 1/20 0.43
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.40
GFER P55789 1/20 0.39

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
SCHEMBL4172871 0.88 HSD11B1 (0.50) HSD11B1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4172300 0.83 HSD11B1 (0.43) HSD11B1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4172728 0.82 HSD11B1 (0.49) HSD11B1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4604575 0.82 HSD11B1 (0.46) HSD11B1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4185341 0.81 HSD11B1 (0.47) HSD11B1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4177574 0.78 HSD11B1 (0.45) HSD11B1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4175343 0.71 SOAT1 (0.46) HSD11B1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL13778892 0.68 SOAT1 (0.46) HSD11B1MEN1KMT2AMAPTSOAT1
SCHEMBL13302731 0.67 SOAT1 (0.48) HSD11B1MEN1KMT2AMAPTSOAT1
SCHEMBL4172855 0.66 ALDH1A1 (0.40)

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-20090186868-A1 Taxane Compound Having Azetidine Ring Structure DAIICHI SANKYO COMPANY LIMITED (JP) 2009-07-23 US disclosed
US-20090186868-A1 Taxane Compound Having Azetidine Ring Structure DAIICHI SANKYO COMPANY LIMITED (JP) 2009-07-23 US disclosed
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 HSD11B1 1690/4885MEN1 1676/4885KMT2A 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.