SCHEMBL4172905

SCHEMBL4172905

COc1ccc(N2C(=O)[C@H](OC(C)=O)[C@@H]2c2ccccc2F)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MCOLN3 Q8TDD5 1/20 0.53
ALDH1A1 P00352 4/20 0.50
TSHR P16473 1/20 0.50
HSD11B1 P28845 3/20 0.46
RAB9A P51151 2/20 0.45
P2RX3 P56373 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
SOAT1 P35610 1/20 0.42
KCNH2 Q12809 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
POLB P06746 1/20 0.40
STING1 Q86WV6 1/20 0.39
NPC1 O15118 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
SCHEMBL4172914 1.00 MEN1 (0.53) MEN1KMT2AMAPTSMN1; SMN2MCOLN3
SCHEMBL4172908 1.00 MEN1 (0.53) MEN1KMT2AMAPTSMN1; SMN2MCOLN3
SCHEMBL5448047 0.86 ALDH1A1 (0.53) MEN1KMT2AMAPTSMN1; SMN2MCOLN3
SCHEMBL14440738 0.86 ALDH1A1 (0.53) MEN1KMT2AMAPTSMN1; SMN2MCOLN3
SCHEMBL8125732 0.83 SOAT1 (0.53) KMT2AMAPTSMN1; SMN2ALDH1A1HSD11B1
SCHEMBL6651639 0.83 SOAT1 (0.53) KMT2AMAPTSMN1; SMN2ALDH1A1HSD11B1
SCHEMBL6651637 0.83 SOAT1 (0.53) KMT2AMAPTSMN1; SMN2ALDH1A1HSD11B1
SCHEMBL4673235 0.82 NPSR1 (0.42) MEN1KMT2AMAPTSMN1; SMN2MCOLN3
SCHEMBL4673246 0.82 NPSR1 (0.42) MEN1KMT2AMAPTSMN1; SMN2MCOLN3
SCHEMBL4673240 0.82 NPSR1 (0.42) MEN1KMT2AMAPTSMN1; SMN2MCOLN3

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 MEN1 1676/4885KMT2A 950/4885MAPT 4405/4885

“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.