SCHEMBL4192183

SCHEMBL4192183

COc1ccc(N2C(=O)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]2c2ncco2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
HSD11B1 P28845 6/20 0.37
P2RX3 P56373 1/20 0.37
KAT2B Q92831 1/20 0.35
GFER P55789 1/20 0.34
GRM1 Q13255 1/20 0.33
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
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 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
SCHEMBL4192176 1.00 NPSR1 (0.39) NPSR1SMN1; SMN2HSD11B1P2RX3KAT2B
SCHEMBL4192177 1.00 NPSR1 (0.39) NPSR1SMN1; SMN2HSD11B1P2RX3KAT2B
SCHEMBL4177490 0.82 HSD11B1 (0.45) NPSR1SMN1; SMN2HSD11B1KAT2BGFER
SCHEMBL4177495 0.82 HSD11B1 (0.45) NPSR1SMN1; SMN2HSD11B1KAT2BGFER
SCHEMBL4177483 0.82 HSD11B1 (0.45) NPSR1SMN1; SMN2HSD11B1KAT2BGFER
SCHEMBL4168203 0.81 SMN1; SMN2 (0.40) NPSR1SMN1; SMN2HSD11B1P2RX3GFER
SCHEMBL4168201 0.81 SMN1; SMN2 (0.40) NPSR1SMN1; SMN2HSD11B1P2RX3GFER
SCHEMBL4168197 0.81 SMN1; SMN2 (0.40) NPSR1SMN1; SMN2HSD11B1P2RX3GFER
SCHEMBL7723195 0.81 ALDH1A1 (0.43) NPSR1SMN1; SMN2HSD11B1SOAT1ALDH1A1
SCHEMBL6968887 0.81 GFER (0.47) NPSR1SMN1; SMN2HSD11B1GFERCA1

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

“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.