SCHEMBL16865361

SCHEMBL16865361

CCOC(=O)C(C(O)/C=C/c1ccc([N+](=O)[O-])cc1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.40
ADORA3 P0DMS8 5/20 0.40
MAOB P27338 2/20 0.39
MAPT P10636 5/20 0.38
LMNA P02545 4/20 0.38
MAPK1 P28482 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
FBP1 P09467 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAOA P21397 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
SCHEMBL17080643 0.87 CTDSP1 (0.35) ADORA3MAOBMAPTLMNAKMT2A
SCHEMBL16865338 0.87 CTDSP1 (0.35) ADORA3MAOBMAPTLMNAKMT2A
SCHEMBL16865359 0.87 CTDSP1 (0.35) ADORA3MAOBMAPTLMNAKMT2A
SCHEMBL16865363 0.85 MAPT (0.37) MAOBMAPTLMNAKMT2ASMN1; SMN2
SCHEMBL16865337 0.85 MAPT (0.37) MAOBMAPTLMNAKMT2ASMN1; SMN2
SCHEMBL16865342 0.85 MAPT (0.37) MAOBMAPTLMNAKMT2ASMN1; SMN2
SCHEMBL16865357 0.85 CTDSP1 (0.43) ADORA3MAPTLMNAKMT2ASMN1; SMN2
SCHEMBL16865358 0.85 CTDSP1 (0.43) ADORA3MAPTLMNAKMT2ASMN1; SMN2
SCHEMBL17072206 0.73 AKT1 (0.35) MAOBMAPTLMNAALDH1A1KDM4E
SCHEMBL17072207 0.73 AKT1 (0.35) MAOBMAPTLMNAALDH1A1KDM4E

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-9133488-B2 Synthetic methods and compounds related thereto UNIVERSITY OF ALASKA FAIRBANKS (US) 2015-09-15 US disclosed
US-20150184206-A1 SYNTHETIC METHODS AND COMPOUNDS RELATED THERETO UNIVERSITY OF ALASKA FAIRBANKS 2015-07-02 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-20150184206-A1 SYNTHETIC METHODS AND COMPOUNDS RELATED THERETO LSS, CYP51A1, FASN PTGS2 369/4885ADORA3 1054/4885MAOB 827/4885

“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.