SCHEMBL4170547

SCHEMBL4170547

COc1ccc(N2C(=O)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]2c2cocn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
HSD11B1 P28845 9/20 0.37
NPSR1 Q6W5P4 1/20 0.36
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
SOAT1 P35610 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
LMNA P02545 2/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL4170539 1.00 SMN1; SMN2 (0.37) SMN1; SMN2HSD11B1NPSR1CA1CA2
SCHEMBL4170532 1.00 SMN1; SMN2 (0.37) SMN1; SMN2HSD11B1NPSR1CA1CA2
SCHEMBL4177482 0.81 SMN1; SMN2 (0.40) SMN1; SMN2HSD11B1NPSR1SOAT1LMNA
SCHEMBL4177488 0.81 SMN1; SMN2 (0.40) SMN1; SMN2HSD11B1NPSR1SOAT1LMNA
SCHEMBL4177493 0.81 SMN1; SMN2 (0.40) SMN1; SMN2HSD11B1NPSR1SOAT1LMNA
SCHEMBL4177495 0.80 HSD11B1 (0.45) SMN1; SMN2HSD11B1NPSR1SOAT1KMT2A
SCHEMBL4177483 0.80 HSD11B1 (0.45) SMN1; SMN2HSD11B1NPSR1SOAT1KMT2A
SCHEMBL4177490 0.80 HSD11B1 (0.45) SMN1; SMN2HSD11B1NPSR1SOAT1KMT2A
SCHEMBL6968887 0.78 GFER (0.47) SMN1; SMN2HSD11B1NPSR1CA1CA2
SCHEMBL8306745 0.78 GFER (0.47) SMN1; SMN2HSD11B1NPSR1CA1CA2

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 SMN1; SMN2 1918/4885HSD11B1 1690/4885NPSR1 3113/4885

“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.