SCHEMBL18846

SCHEMBL18846

C[C@@](O)(c1ccc(Br)cc1)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 17/20 0.54
NR1H3 Q13133 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA5A P35218 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL16737 1.00 HSD11B1 (0.54) HSD11B1NR1H3CA1CA2CA5A
SCHEMBL19219 1.00 HSD11B1 (0.54) HSD11B1NR1H3CA1CA2CA5A
SCHEMBL10165226 0.88 HSD11B1 (0.59) HSD11B1NR1H3
SCHEMBL18084415 0.86 HSD11B1 (0.41) HSD11B1CA1CA2CA5ACA9
SCHEMBL15459955 0.81 HSD11B1 (0.53) HSD11B1NR1H3
SCHEMBL25753451 0.81 HSD11B1 (0.53) HSD11B1NR1H3
SCHEMBL18911475 0.81 CYP2A6 (0.40) HSD11B1CA1CA2CA5ACA9
SCHEMBL29091902 0.81 CA1 (0.43) HSD11B1NR1H3CA1CA2CA5A
SCHEMBL28771440 0.81 CA1 (0.43) HSD11B1NR1H3CA1CA2CA5A
SCHEMBL29091898 0.81 CA1 (0.43) HSD11B1NR1H3CA1CA2CA5A

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3210969-B1 KCNQ2-5 CHANNEL ACTIVATOR ONO PHARMACEUTICAL CO (JP) 2021-04-28 EP disclosed
CN-107108485-B KCNQ 2-5 channel activator 小野药品工业株式会社 2020-06-12 CN disclosed
US-10676438-B2 KCNQ2-5 channel activator ONO PHARMACEUTICAL CO., LTD. (JP) 2020-06-09 US disclosed
US-20200157050-A1 KCNQ2-5 CHANNEL ACTIVATOR ONO PHARMACEUTICAL CO., LTD. (JP) 2020-05-21 US disclosed
US-10570093-B2 2020-02-25 US disclosed
US-10196358-B2 KCNQ2-5 channel activator ONO PHARMACEUTICAL CO., LTD. (JP) 2019-02-05 US disclosed
US-20180346422-A1 KCNQ2-5 CHANNEL ACTIVATOR ONO PHARMACEUTICAL CO., LTD. (JP) 2018-12-06 US disclosed
US-10059705-B2 Acyclic cyanoethylpyrazolo pyridones as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2018-08-28 US disclosed
US-9957265-B2 N-(2-cyano heterocyclyl) pyrazolo pyridones as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2018-05-01 US disclosed
EP-2976341-B1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-02-28 EP disclosed
US-8431563-B2 Compounds that interact with glucokinase regulatory protein for the treatment of diabetes AMGEN INC. (US) 2013-04-30 US disclosed
US-8431563-B2 Compounds that interact with glucokinase regulatory protein for the treatment of diabetes AMGEN INC. (US) 2013-04-30 US disclosed
WO-2013041042-A1 PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-03-28 WO disclosed
WO-2013041042-A1 PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-03-28 WO disclosed
WO-2013040863-A1 CYCLOALKYLNITRILE PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-03-28 WO disclosed
US-20120225854-A1 COMPOUNDS THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. (US) 2012-09-06 US disclosed
US-20120225854-A1 COMPOUNDS THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. (US) 2012-09-06 US disclosed
US-20120225854-A1 COMPOUNDS THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. (US) 2012-09-06 US disclosed
WO-2012027261-A1 SULFONYLPIPERAZINE DERIVATIVES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. (US) 2012-03-01 WO disclosed
WO-2012027261-A1 SULFONYLPIPERAZINE DERIVATIVES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. (US) 2012-03-01 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 (7 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-10570093-B2 KCNQ5, KCNQ2, KCNQ1 HSD11B1 2566/4885NR1H3 785/4885CA1 2770/4885
US-20200157050-A1 KCNQ2-5 CHANNEL ACTIVATOR KCNQ5, KCNQ2, KCNQ1 HSD11B1 4314/4885NR1H3 1105/4885CA1 3050/4885
US-20120225854-A1 COMPOUNDS THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES GCKR, GCK, SLC5A2 HSD11B1 1443/4885NR1H3 1997/4885CA1 4137/4885
US-10059705-B2 Acyclic cyanoethylpyrazolo pyridones as janus kinase inhibitors JAK1, JAK2, JAK3 HSD11B1 2633/4885NR1H3 2906/4885CA1 3144/4885
US-20180346422-A1 KCNQ2-5 CHANNEL ACTIVATOR KCNQ5, KCNQ2, KCNQ1 HSD11B1 4314/4885NR1H3 1105/4885CA1 3050/4885
US-10676438-B2 KCNQ2-5 channel activator KCNQ5, KCNQ2, KCNQ1 HSD11B1 4314/4885NR1H3 1105/4885CA1 3050/4885
US-10196358-B2 KCNQ2-5 channel activator KCNQ5, KCNQ2, KCNQ1 HSD11B1 4314/4885NR1H3 1105/4885CA1 3050/4885

“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.