SCHEMBL4675295

SCHEMBL4675295

COc1ccc(C(c2ccc(OC)cc2)N2C(=O)[C@@H](OC(C)=O)[C@H]2c2ncccc2F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
HKDC1 Q2TB90 1/20 0.36
CACNA1S Q13698 5/20 0.35
BRAF P15056 1/20 0.34
CYP3A4 P08684 4/20 0.34
TSHR P16473 3/20 0.34
ABCB11 O95342 3/20 0.34
LMNA P02545 3/20 0.34
ADRA1A P35348 2/20 0.34
CYP19A1 P11511 2/20 0.34
ESR1 P03372 1/20 0.34
ADRA2A P08913 1/20 0.34
CYP2C9 P11712 1/20 0.34
PDE4A P27815 1/20 0.34
OPRK1 P41145 1/20 0.34
STAT6 P42226 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HIF1A Q16665 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
KCNH2 Q12809 2/20 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
SCHEMBL4675287 1.00 KDM4E (0.36) KDM4EHKDC1CACNA1SBRAFCYP3A4
SCHEMBL4671531 1.00 KDM4E (0.36) KDM4EHKDC1CACNA1SBRAFCYP3A4
SCHEMBL4677221 0.85 KDM4E (0.34) KDM4EHKDC1BRAFTSHRCYP19A1
SCHEMBL4673211 0.84 KDM4E (0.41) KDM4EHKDC1BRAFTSHRCYP19A1
SCHEMBL4674838 0.84 KDM4E (0.41) KDM4EHKDC1BRAFTSHRCYP19A1
SCHEMBL4673235 0.82 NPSR1 (0.42) KDM4EHKDC1CACNA1STSHRLMNA
SCHEMBL4673240 0.82 NPSR1 (0.42) KDM4EHKDC1CACNA1STSHRLMNA
SCHEMBL4673246 0.82 NPSR1 (0.42) KDM4EHKDC1CACNA1STSHRLMNA
SCHEMBL4671101 0.70 SMN1; SMN2 (0.57) KDM4EHKDC1TSHRLMNAALDH1A1
SCHEMBL4671613 0.69 NPSR1 (0.41) KDM4EHKDC1TSHRHTTALDH1A1

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 KDM4E 1139/4885HKDC1 2326/4885CACNA1S 4588/4885

“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.