SCHEMBL10172268

SCHEMBL10172268

CB1OCc2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 3/20 0.42
HTT P42858 1/20 0.42
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
HTR6 P50406 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
ATM Q13315 1/20 0.35

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
SCHEMBL595494 0.83 CA1 (0.56) ALDH1A1CYP3A4MAPK1CA1CA2
SCHEMBL10172267 0.74 CA1 (0.36) CA1CA2PDE4APDE4BPDE4C
SCHEMBL13470643 0.71 CA1 (0.53) CA1CA2PDE4APDE4BPDE4C
SCHEMBL2278403 0.71 CA1 (0.47) CA1CA2
SCHEMBL3255012 0.70 CA1 (0.49) CA1CA2
SCHEMBL18500980 0.70 PDE4A (0.44) HTTCA1CA2PDE4APDE4B
SCHEMBL2276221 0.70 CA1 (0.54) CA1CA2PDE4APDE4BPDE4C
SCHEMBL14749125 0.70 ALDH1A1 (0.47) ALDH1A1CYP3A4MAPK1LMNAHTT
SCHEMBL2285640 0.69 CA1 (0.48) CA1CA2PDE4APDE4BPDE4C
SCHEMBL2283106 0.69 CA1 (0.48) CA1CA2PDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170258819-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. 2017-09-14 US disclosed
US-9682092-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2017-06-20 US disclosed
US-20170066787-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2017-03-09 US disclosed
US-9572823-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2017-02-21 US disclosed
US-9566290-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2017-02-14 US disclosed
US-9566289-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2017-02-14 US disclosed
US-9549938-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2017-01-24 US disclosed
US-20160228463-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2016-08-11 US disclosed
US-20160206638-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2016-07-21 US disclosed
US-20160184334-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2016-06-30 US disclosed
US-20130059802-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2013-03-07 US disclosed
US-20120289686-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-11-15 US disclosed
US-20120264714-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2012-10-18 US disclosed
US-8168614-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2012-05-01 US disclosed
US-8115026-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2012-02-14 US disclosed
US-20100267981-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2010-10-21 US disclosed
US-7767657-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2010-08-03 US disclosed
US-20070293457-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, LLC 2007-12-20 US disclosed
US-20070286822-A1 Compounds for the Treatment of Periodontal Disease ANACOR PHARMACEUTICALS INC. (US) 2007-12-13 US disclosed
US-20070155699-A1 Boron-containing small molecules ANACOR PHARMACEUTICALS (US) 2007-07-05 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 (12 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-20160206638-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 ALDH1A1 3692/4885CYP3A4 2875/4885MAPK1 1528/4885
US-20130059802-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 ALDH1A1 3692/4885CYP3A4 2875/4885MAPK1 1528/4885
US-20170066787-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 ALDH1A1 3692/4885CYP3A4 2875/4885MAPK1 1528/4885
US-20160228463-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 ALDH1A1 3692/4885CYP3A4 2875/4885MAPK1 1528/4885
US-20070286822-A1 Compounds for the Treatment of Periodontal Disease BPGM, HMBS, PPIP5K2 ALDH1A1 2013/4885CYP3A4 2572/4885MAPK1 4666/4885
US-20120264714-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, TNF ALDH1A1 3364/4885CYP3A4 4438/4885MAPK1 1156/4885
US-20070293457-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, TNF ALDH1A1 3364/4885CYP3A4 4438/4885MAPK1 1156/4885
US-20120289686-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 ALDH1A1 3692/4885CYP3A4 2875/4885MAPK1 1528/4885
US-20070155699-A1 Boron-containing small molecules ETF1, POLR1C, DPM1 ALDH1A1 3692/4885CYP3A4 2875/4885MAPK1 1528/4885
US-20170258819-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, TNF ALDH1A1 3364/4885CYP3A4 4438/4885MAPK1 1156/4885
US-20100267981-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 ALDH1A1 3692/4885CYP3A4 2875/4885MAPK1 1528/4885
US-20160184334-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 ALDH1A1 3692/4885CYP3A4 2875/4885MAPK1 1528/4885

“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.