SCHEMBL4177482

SCHEMBL4177482

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
CCR1 P32246 2/20 0.36
CCR2 P41597 1/20 0.36
SOAT1 P35610 1/20 0.36
HSD11B1 P28845 2/20 0.35
CYP3A4 P08684 3/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
RXFP1 Q9HBX9 3/20 0.35
CACNA1S Q13698 3/20 0.34
TSHR P16473 2/20 0.34
SLC22A1 O15245 1/20 0.34
CACNA1F O60840 1/20 0.34
ABCB11 O95342 1/20 0.34
LMNA P02545 1/20 0.34
ABCB1 P08183 1/20 0.34
HRH2 P25021 1/20 0.34
ADRA1A P35348 1/20 0.34

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
SCHEMBL4177493 1.00 SMN1; SMN2 (0.40) SMN1; SMN2NPSR1L3MBTL1CCR1CCR2
SCHEMBL4177488 1.00 SMN1; SMN2 (0.40) SMN1; SMN2NPSR1L3MBTL1CCR1CCR2
SCHEMBL4170532 0.81 SMN1; SMN2 (0.37) SMN1; SMN2NPSR1SOAT1HSD11B1LMNA
SCHEMBL4170539 0.81 SMN1; SMN2 (0.37) SMN1; SMN2NPSR1SOAT1HSD11B1LMNA
SCHEMBL4170547 0.81 SMN1; SMN2 (0.37) SMN1; SMN2NPSR1SOAT1HSD11B1LMNA
SCHEMBL4168315 0.79 SMN1; SMN2 (0.43) SMN1; SMN2NPSR1L3MBTL1CCR1CCR2
SCHEMBL4168318 0.79 SMN1; SMN2 (0.43) SMN1; SMN2NPSR1L3MBTL1CCR1CCR2
SCHEMBL4168324 0.79 SMN1; SMN2 (0.43) SMN1; SMN2NPSR1L3MBTL1CCR1CCR2
SCHEMBL13778887 0.78 SMN1; SMN2 (0.40) SMN1; SMN2NPSR1L3MBTL1CCR1CCR2
SCHEMBL4168197 0.78 SMN1; SMN2 (0.40) SMN1; SMN2NPSR1L3MBTL1CCR1CCR2

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 SMN1; SMN2 1918/4885NPSR1 3113/4885L3MBTL1 1661/4885

“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.