SCHEMBL4673246

SCHEMBL4673246

COc1ccc(N2C(=O)[C@@H](OC(C)=O)[C@H]2c2ncccc2F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 4/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
SHMT2 P34897 1/20 0.39
HSD11B1 P28845 2/20 0.39
KDM4E B2RXH2 3/20 0.38
HKDC1 Q2TB90 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
SOAT1 P35610 1/20 0.37
POLB P06746 1/20 0.37
KAT2B Q92831 1/20 0.37
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CACNA1S Q13698 1/20 0.36
ADORA3 P0DMS8 1/20 0.36

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
SCHEMBL4673235 1.00 NPSR1 (0.42) NPSR1ALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL4673240 1.00 NPSR1 (0.42) NPSR1ALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL4168318 0.84 SMN1; SMN2 (0.43) NPSR1ALDH1A1TSHRSMN1; SMN2HSD11B1
SCHEMBL4168315 0.84 SMN1; SMN2 (0.43) NPSR1ALDH1A1TSHRSMN1; SMN2HSD11B1
SCHEMBL4168324 0.84 SMN1; SMN2 (0.43) NPSR1ALDH1A1TSHRSMN1; SMN2HSD11B1
SCHEMBL4671101 0.83 SMN1; SMN2 (0.57) NPSR1ALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL4675295 0.82 KDM4E (0.36) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL4675287 0.82 KDM4E (0.36) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL4671531 0.82 KDM4E (0.36) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL4172914 0.82 MEN1 (0.53) NPSR1ALDH1A1MAPTTSHRSMN1; SMN2

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
EP-1375495-B1 METHOD FOR PRODUCING A 2-AZETIDINONE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2008-09-03 EP disclosed
US-7126003-B2 Method for producing 2-azetidinone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-10-24 US disclosed
US-20040072309-A1 Method for producing 2-azetidinone derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2004-04-15 US disclosed
EP-1375495-A1 METHOD FOR PRODUCING 2-AZETIDINONE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-01-02 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-20040072309-A1 Method for producing 2-azetidinone derivative CYP51A1, AZI2, POR NPSR1 4397/4885ALDH1A1 142/4885MAPT 4703/4885

“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.