SCHEMBL141580

SCHEMBL141580

CC(C)OC(=O)c1ccc(B(O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.63
CA1 P00915 4/20 0.63
CA2 P00918 4/20 0.63
CA7 P43166 4/20 0.63
CA9 Q16790 4/20 0.63
CA14 Q9ULX7 4/20 0.63
PDCD1 Q15116 1/20 0.58
CD274 Q9NZQ7 1/20 0.58
CYP4F2 P78329 1/20 0.54
CYP4A11 Q02928 1/20 0.54
ALDH1A1 P00352 5/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 2/20 0.44

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
SCHEMBL701832 0.85 CA12 (0.83) CA12CA1CA2CA7CA9
SCHEMBL480164 0.85 CA2 (0.46) CA12CA1CA2CA7CA9
SCHEMBL27667925 0.83 CA12 (0.79) CA12CA1CA2CA7CA9
SCHEMBL27955902 0.83 CA12 (0.79) CA12CA1CA2CA7CA9
SCHEMBL27667911 0.83 CA12 (0.79) CA12CA1CA2CA7CA9
SCHEMBL28761675 0.83 CA12 (0.79) CA12CA1CA2CA7CA9
SCHEMBL27668240 0.83 CA12 (0.79) CA12CA1CA2CA7CA9
SCHEMBL27647565 0.83 CA12 (0.79) CA12CA1CA2CA7CA9
SCHEMBL27667912 0.83 CA12 (0.79) CA12CA1CA2CA7CA9
SCHEMBL27667932 0.83 CA12 (0.79) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303569-A1 HETEROCYCLIC COMPOUNDS AS THERAPEUTIC AGENTS ARISAN THERAPEUTICS INC. (US) 2023-09-28 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20220281825-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF ARENAVIRUS INFECTION ARISAN THERAPEUTICS INC. (US) 2022-09-08 US disclosed
US-11352328-B2 Heterocyclic compounds for the treatment of arenavirus ARISAN THERAPEUTICS INC. (US) 2022-06-07 US disclosed
EP-3459948-B1 FLUORINE-CONTAINING TRIAZOLOPYRIDINE, AND MANUFACTURING METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2021-11-17 EP disclosed
CN-107383002-B Fluorine-containing triazole pyridine compounds, and preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2021-07-13 CN disclosed
US-10800776-B2 Fluorine-containing triazolopyridine, and manufacturing method, pharmaceutical composition, and application thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-10-13 US disclosed
US-20190308938-A1 Heterocyclic Compounds for the Treatment of Arenavirus NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-10-10 US disclosed
US-20190202827-A1 FLUORINE-CONTAINING TRIAZOLOPYRIDINE, AND MANUFACTURING METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2019-07-04 US disclosed
EP-3459948-A1 FLUORINE-CONTAINING TRIAZOLOPYRIDINE, AND MANUFACTURING METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF Shanghai Institute Of Materia Medica Chinese Academy of Sciences (CN) 2019-03-27 EP disclosed
US-8815840-B2 Carbazole and carboline kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-26 US disclosed
EP-2370407-B1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-06-18 EP disclosed
WO-2013142087-A1 BORONIC ACID CONJUGATES OF OLIGONUCLEOTIDE ANALOGUES SAREPTA THERAPEUTICS, INC. (US) 2013-09-26 WO disclosed
US-20120058988-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-03-08 US disclosed
EP-2370407-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-10-05 EP disclosed
WO-2010080474-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-15 WO disclosed
EP-2185521-A2 COMPOUNDS AND METHODS FOR MODULATING RHO GTPASES Exonhit Therapeutics SA (FR) 2010-05-19 EP disclosed
US-20100120810-A1 COMPOUNDS AND METHODS FOR MODULATING RHO GTPASES EXONHIT THERAPEUTICS SA (FR) 2010-05-13 US disclosed
WO-2009007457-A2 COMPOUNDS AND METHODS FOR MODULATING RHO GTPASES EXONHIT THERAPEUTICS SA (FR) 2009-01-15 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 (8 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-20120058988-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS JAK2, JAK1, JAK3 CA12 3204/4885CA1 2930/4885CA2 1140/4885
US-20190202827-A1 FLUORINE-CONTAINING TRIAZOLOPYRIDINE, AND MANUFACTURING METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF GRM2, GRM1, GRIK2 CA12 4399/4885CA1 3103/4885CA2 1109/4885
US-20220281825-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF ARENAVIRUS INFECTION C9, C1S, ZC3HAV1 CA12 3884/4885CA1 3862/4885CA2 3667/4885
US-10800776-B2 Fluorine-containing triazolopyridine, and manufacturing method, pharmaceutical composition, and application thereof GRM2, GRM1, GRIK2 CA12 4399/4885CA1 3103/4885CA2 1109/4885
US-20230303569-A1 HETEROCYCLIC COMPOUNDS AS THERAPEUTIC AGENTS C3AR1, C9, C1R CA12 1676/4885CA1 2741/4885CA2 2755/4885
US-20100120810-A1 COMPOUNDS AND METHODS FOR MODULATING RHO GTPASES RAC1, RAC2, RAC3 CA12 4554/4885CA1 4193/4885CA2 2142/4885
US-11352328-B2 Heterocyclic compounds for the treatment of arenavirus C9, C1R, C1S CA12 3484/4885CA1 3345/4885CA2 3384/4885
US-20190308938-A1 Heterocyclic Compounds for the Treatment of Arenavirus C9, C1R, C1S CA12 3484/4885CA1 3345/4885CA2 3384/4885

“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.