SCHEMBL21596955

SCHEMBL21596955

Cc1cncc(C(F)(F)F)c1Br

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
S1PR1 P21453 3/20 0.33
HSD11B1 P28845 1/20 0.31
S1PR3 Q99500 1/20 0.30

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
SCHEMBL30374480 1.00 CYP11B1 (0.35) CYP11B1CYP11B2S1PR1HSD11B1S1PR3
SCHEMBL21719110 0.80 GABRA1 (0.30)
SCHEMBL723605 0.75
SCHEMBL25584913 0.74 CYP11B1 (0.33) CYP11B1CYP11B2S1PR1HSD11B1
SCHEMBL3782535 0.74 CYP11B1 (0.35) CYP11B1CYP11B2HSD11B1
SCHEMBL16127380 0.74 CYP11B2 (0.37) CYP11B1CYP11B2HSD11B1
Hydrochloric Acid SCHEMBL18189392 0.73 UHRF1 (0.35)
SCHEMBL23620109 0.71 CYP11B1 (0.31) CYP11B1CYP11B2
SCHEMBL21938071 0.71 CYP11B1 (0.31) CYP11B1CYP11B2
SCHEMBL25584915 0.69 KDM4E (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112313212-B OGA inhibitor compounds 詹森药业有限公司 2023-05-05 CN disclosed
US-20210277003-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-09-09 US disclosed
US-20210130352-A1 OGA INHIBITOR COMPOUNDS JANSSEN-CILAG S.A. (ES) 2021-05-06 US disclosed
EP-3810586-A1 OGA INHIBITOR COMPOUNDS Janssen Pharmaceutica NV (BE) 2021-04-28 EP disclosed
CN-112313212-A OGA inhibitor compounds 詹森药业有限公司 2021-02-02 CN disclosed
WO-2019243533-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
WO-2019243535-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
WO-2019243535-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 (2 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-20210277003-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN CYP11B1 4512/4885CYP11B2 4635/4885S1PR1 4514/4885
US-20210130352-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN CYP11B1 4512/4885CYP11B2 4635/4885S1PR1 4514/4885

“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.