SCHEMBL15933110

SCHEMBL15933110

CC(C)(C)OC(=O)N1C(=O)C2C=C[C@H](Br)[C@H]1C2

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.36
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
AR P10275 1/20 0.33
ROCK2 O75116 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
NR1H2 P55055 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
HSD11B1 P28845 1/20 0.32
STS P08842 1/20 0.31
KLK7 P49862 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL15986600 1.00 ELANE (0.36) ELANECHRM2CHRM1CHRM3AR
SCHEMBL782700 0.80 CHRM2 (0.37) ELANECHRM2CHRM1CHRM3AR
SCHEMBL2134581 0.80 CHRM2 (0.37) ELANECHRM2CHRM1CHRM3AR
SCHEMBL2134574 0.80 CHRM2 (0.37) ELANECHRM2CHRM1CHRM3AR
SCHEMBL12392946 0.80 CHRM2 (0.37) ELANECHRM2CHRM1CHRM3AR
SCHEMBL23583803 0.80 CHRM2 (0.37) ELANECHRM2CHRM1CHRM3AR
SCHEMBL16155030 0.68 CHRM2 (0.37) CHRM2CHRM1CHRM3ARKDM4E
SCHEMBL16155031 0.68 CHRM2 (0.41) CHRM2CHRM1CHRM3ARKDM4E
SCHEMBL22509887 0.68 CHRM2 (0.41) CHRM2CHRM1CHRM3ARKDM4E
SCHEMBL12392951 0.68 CHRM2 (0.41) CHRM2CHRM1CHRM3ARKDM4E

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-9040738-B2 Intermediate compounds of tamiflu, methods of preparation and uses thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2015-05-26 US disclosed
US-20140221662-A1 INTERMEDIATE COMPOUNDS OF TAMIFLU, METHODS OF PREPARATION AND USES THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2014-08-07 US 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-20140221662-A1 INTERMEDIATE COMPOUNDS OF TAMIFLU, METHODS OF PREPARATION AND USES THEREOF NNMT, FLT3, TPMT ELANE 912/4885CHRM2 1834/4885CHRM1 1487/4885

“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.