SCHEMBL16737

SCHEMBL16737

CC(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
SCHEMBL18846 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 157 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022130403-A1 NEW QUATERNARY AMMONIUM SALTS FOR TRIFLUOROMETHYLATION AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2022-06-23 WO claimed
US-11785845-B2 Composition FUJIFILM CORPORATION (JP) 2023-10-10 US disclosed
WO-2022130403-A1 NEW QUATERNARY AMMONIUM SALTS FOR TRIFLUOROMETHYLATION AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2022-06-23 WO disclosed
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
EP-3209296-B1 ETHYL N-BOC PIPERIDINYL PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2019-07-10 EP disclosed
EP-3209296-B1 ETHYL N-BOC PIPERIDINYL PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2019-07-10 EP disclosed
WO-2010054764-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 WO disclosed
WO-2010054763-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 WO disclosed
WO-2010054763-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 WO disclosed
WO-2010054762-A1 AMINOALKYL-SUBSTITUTED COMPOUNDS AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 WO disclosed
WO-2010054762-A1 AMINOALKYL-SUBSTITUTED COMPOUNDS AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 WO disclosed
WO-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed
WO-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed
US-7407959-B2 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA & CO. (CA) 2008-08-05 US disclosed
US-20070293578-A1 Cathepsin Cysteine Protease Inhibitors GAUTHIER JACQUES Y 2007-12-20 US disclosed
US-20060111440-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2006-05-25 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 (6 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-11785845-B2 Composition ADH1A, ADH1C, SLC19A2 HSD11B1 119/4885NR1H3 515/4885CA1 1014/4885
US-20200157050-A1 KCNQ2-5 CHANNEL ACTIVATOR KCNQ5, KCNQ2, KCNQ1 HSD11B1 4314/4885NR1H3 1105/4885CA1 3050/4885
US-20060111440-A1 Cathepsin cysteine protease inhibitors CTSB, CTSS, CTSZ HSD11B1 3188/4885NR1H3 3019/4885CA1 1159/4885
US-10676438-B2 KCNQ2-5 channel activator KCNQ5, KCNQ2, KCNQ1 HSD11B1 4314/4885NR1H3 1105/4885CA1 3050/4885
US-20070293578-A1 Cathepsin Cysteine Protease Inhibitors CTSB, CTSS, CTSE HSD11B1 3587/4885NR1H3 2649/4885CA1 1146/4885

“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.