SCHEMBL11995147

SCHEMBL11995147

CN1C(=O)CS(=O)(=O)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA4 P22748 1/20 0.51
CA7 P43166 1/20 0.51
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
TP53 P04637 1/20 0.44
BRPF1 P55201 1/20 0.43
PLCG1 P19174 1/20 0.41
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
CCKBR P32239 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
MAOA P21397 1/20 0.37

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
SCHEMBL14288827 0.82 CA2 (0.49) CA2CA9CA12CA1CA4
SCHEMBL10329909 0.80 CA2 (0.46) CA2CA9CA12CA1CA4
SCHEMBL6070970 0.77 PDE3B (0.53) CA2CA9CA12CA1CA4
SCHEMBL14427894 0.77 PDE3B (0.44) CA2CA9CA12CA1PDE3B
SCHEMBL11091913 0.76 CA12 (0.58) CA2CA9CA12CA4CA7
SCHEMBL10421114 0.75 MAPK1 (0.41) TP53PLCG1ALDH1A1KCNN4
SCHEMBL10421113 0.75 KCNN4 (0.38) CA2CA9CA12CA1CA4
SCHEMBL10421052 0.73 HDAC3 (0.41) PLCG1ALDH1A1KCNN4
SCHEMBL7268726 0.72 MEN1 (0.47) ALDH1A1LMNA
SCHEMBL6070219 0.72 ALDH1A1 (0.49) CA9CA12PDE3BPDE3AGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10934309-B2 Tricyclic quinone derivative SUMITOMO DAINIPPON PHARMA ONCOLOGY, INC. (US) 2021-03-02 US disclosed
US-20200392098-A1 SUBSTITUTED NAPHTHO[2,3-b]FURANS AS WATER-SOLUBLE PRODRUGS FOR PREVENTING AND/OR TREATING CANCER BOSTON BIOMEDICAL, INC. (US) 2020-12-17 US disclosed
US-10800752-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer BOSTON BIOMEDICAL, INC. (US) 2020-10-13 US disclosed
US-20190241583-A1 NEW TRICYCLIC QUINONE DERIVATIVE SUMITOMO DAINIPPON PHARMA ONCOLOGY, INC. 2019-08-08 US disclosed
US-20190084955-A1 SUBSTITUTED NAPHTHO[2,3-b]FURANS AS WATER-SOLUBLE PRODRUGS FOR PREVENTING AND/OR TREATING CANCER BOSTON BIOMEDICAL, INC. (US) 2019-03-21 US disclosed
US-10183925-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer BOSTON BIOMEDICAL, INC. (US) 2019-01-22 US disclosed
US-9977024-B2 Targeted covalent probes and inhibitors of proteins containing redox-sensitive cysteines THE SCRIPPS RESEARCH INSTITUTE (US) 2018-05-22 US disclosed
US-9977024-B2 Targeted covalent probes and inhibitors of proteins containing redox-sensitive cysteines THE SCRIPPS RESEARCH INSTITUTE (US) 2018-05-22 US disclosed
US-20180111914-A1 WATER-SOLUBLE PRODRUGS BOSTON BIOMEDICAL, INC. (US) 2018-04-26 US disclosed
US-20180111914-A1 WATER-SOLUBLE PRODRUGS BOSTON BIOMEDICAL, INC. (US) 2018-04-26 US disclosed
US-8541585-B2 N-acyl cyclic amine derivative or pharmaceutically acceptable salt thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-09-24 US disclosed
US-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-05-09 US disclosed
US-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-05-09 US disclosed
US-20120225876-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-09-06 US disclosed
US-20120225876-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-09-06 US disclosed
US-20120214790-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. 2012-08-23 US disclosed
US-20120214790-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. 2012-08-23 US disclosed
EP-2302003-A1 AZO METAL CHELATE DYE AND OPTICAL RECORDING MEDIUM Mitsubishi Kagaku Media Co., Ltd. (JP) 2011-03-30 EP disclosed
US-20110069595-A1 AZO METAL CHELATE DYE AND OPTICAL RECORDING MEDIUM MITSUBISHI KAGAKU MEDIA CO., LTD. (JP) 2011-03-24 US disclosed
WO-2011014795-A2 COMPOUNDS AND COMPOSITIONS AS SYK KINASE INHIBITORS IRM LLC (BM) 2011-02-03 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 (10 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-20200392098-A1 SUBSTITUTED NAPHTHO[2,3-b]FURANS AS WATER-SOLUBLE PRODRUGS FOR PREVENTING AND/OR TREATING CANCER NR0B1, NR0B2, NR2C2 CA2 629/4885CA9 499/4885CA12 598/4885
US-20180111914-A1 WATER-SOLUBLE PRODRUGS NR0B2, NR0B1, AVPR1B CA2 811/4885CA9 627/4885CA12 521/4885
US-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF MC2R, NR3C2, REN CA2 908/4885CA9 2031/4885CA12 3022/4885
US-20190241583-A1 NEW TRICYCLIC QUINONE DERIVATIVE NQO1, SQOR, SULT1E1 CA2 1454/4885CA9 1898/4885CA12 2968/4885
US-20190084955-A1 SUBSTITUTED NAPHTHO[2,3-b]FURANS AS WATER-SOLUBLE PRODRUGS FOR PREVENTING AND/OR TREATING CANCER NR0B1, NR0B2, NR2C2 CA2 629/4885CA9 499/4885CA12 598/4885
US-20120225876-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE HDAC10, HDAC11, HDAC1 CA2 1306/4885CA9 1710/4885CA12 1200/4885
US-10800752-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer NR0B1, NR0B2, NR2C2 CA2 629/4885CA9 499/4885CA12 598/4885
US-10183925-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer NR0B1, NR0B2, NR2C2 CA2 629/4885CA9 499/4885CA12 598/4885
US-20120214790-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF GRIN2C, GRIN2A, GRIN2B CA2 1581/4885CA9 2658/4885CA12 1743/4885
US-10934309-B2 Tricyclic quinone derivative NQO1, NQO2, SQOR CA2 1153/4885CA9 1619/4885CA12 2703/4885

“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.