SCHEMBL4185570

SCHEMBL4185570

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

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 13/20 0.50
KCNH2 Q12809 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
ELANE P08246 1/20 0.40
CCR1 P32246 1/20 0.39
RXFP1 Q9HBX9 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
SCHEMBL4185492 0.77 HSD11B1 (0.50) HSD11B1KCNH2SMN1; SMN2MEN1MAPT
SCHEMBL4189549 0.76 HSD11B1 (0.52) HSD11B1KCNH2SMN1; SMN2MEN1MAPT
SCHEMBL4178700 0.76 HSD11B1 (0.48) HSD11B1KCNH2SMN1; SMN2MEN1MAPT
SCHEMBL4183859 0.75 HSD11B1 (0.42) HSD11B1KCNH2SMN1; SMN2MEN1MAPT
SCHEMBL9550093 0.69 L3MBTL1 (0.50) HSD11B1MEN1KMT2APOLB
SCHEMBL4604575 0.68 HSD11B1 (0.46) HSD11B1KCNH2SMN1; SMN2MEN1MAPT
SCHEMBL11618037 0.67 HSD11B1 (0.63) HSD11B1KCNH2SMN1; SMN2MEN1MAPT
SCHEMBL14141057 0.65 L3MBTL1 (0.52) HSD11B1KMT2APOLBRAB9A
SCHEMBL14141055 0.65 L3MBTL1 (0.49) HSD11B1MEN1KMT2APOLB
SCHEMBL9368639 0.64 L3MBTL1 (0.45) HSD11B1KCNH2SMN1; SMN2MAPTRAB9A

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 1690/4885KCNH2 1289/4885SMN1; SMN2 1918/4885

“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.