SCHEMBL21603239

SCHEMBL21603239

CC(O)c1cnc2c(c1)OCCO2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
USP9X Q93008 11/20 0.37
AOC3 Q16853 1/20 0.36
NTRK1 P04629 1/20 0.35
HSD17B10 Q99714 2/20 0.33
TSHR P16473 1/20 0.33
OGA O60502 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL16077532 0.86 PTGS1 (0.37) PTGS1PTGS2USP9XAOC3NTRK1
SCHEMBL21603284 0.83 PTGS1 (0.35) PTGS1PTGS2USP9XNTRK1
SCHEMBL14480216 0.83 PTGS1 (0.35) PTGS1PTGS2USP9XAOC3NTRK1
SCHEMBL23311855 0.82 AOC3 (0.39) PTGS1PTGS2USP9XAOC3NTRK1
SCHEMBL17996636 0.82 USP9X (0.37) PTGS1PTGS2USP9XAOC3NTRK1
SCHEMBL17996640 0.82 AOC3 (0.34) PTGS1PTGS2USP9XAOC3NTRK1
SCHEMBL2607773 0.79 KLK7 (0.36) PTGS1PTGS2USP9XNTRK1OGA
SCHEMBL21607333 0.78 PTGS1 (0.34) PTGS1PTGS2AOC3OGA
SCHEMBL31003076 0.78 CYP11B2 (0.34) USP9XOGA
SCHEMBL30134084 0.76

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210300943-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-09-30 US disclosed
US-20210277015-A1 OGA INHIBITOR COMPOUNDS JANSSEN-CILAG S.A. (ES) 2021-09-09 US disclosed
US-20210122763-A1 OGA INHIBITOR COMPOUNDS JANSSEN-CILAG S.A. (ES) 2021-04-29 US disclosed
WO-2019243526-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
WO-2019243527-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
WO-2019243530-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO 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 (3 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-20210122763-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN PTGS1 3435/4885PTGS2 3784/4885USP9X 803/4885
US-20210300943-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN PTGS1 3435/4885PTGS2 3784/4885USP9X 803/4885
US-20210277015-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN PTGS1 3435/4885PTGS2 3784/4885USP9X 803/4885

“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.