SCHEMBL7864035

SCHEMBL7864035

CCOCOCc1cc(Oc2ccc(S(C)(=O)=O)cc2)ccc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP14 P50281 3/20 0.46
MMP13 P45452 1/20 0.40
SLC6A4 P31645 1/20 0.38
HTT P42858 3/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGS2 P35354 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GCK P35557 3/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
SOS1 Q07889 1/20 0.34
RORC P51449 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7857459 0.90 ALDH1A1 (0.38) MMP14HTTLMNANPC1RAB9A
SCHEMBL7857426 0.86 GCK (0.37) MMP14MMP13HTTLMNANPC1
SCHEMBL7865181 0.82 LTA4H (0.40) MMP14MMP13SLC6A4HTTSMN1; SMN2
SCHEMBL7857218 0.82 MMP14 (0.39) MMP14MMP13SLC6A4HTTPTGS2
SCHEMBL7857224 0.81 MMP14 (0.40) MMP14MMP13SLC6A4LMNAALDH1A1
SCHEMBL7857192 0.81 MMP13 (0.40) MMP14MMP13SLC6A4SOS1MEN1
SCHEMBL7857414 0.80 SLC6A4 (0.42) MMP14SLC6A4HTTLMNANPC1
SCHEMBL19622205 0.80 MMP14 (0.32) MMP14
SCHEMBL7865344 0.79 MMP14 (0.41) MMP14MMP13SLC6A4HTTLMNA
SCHEMBL19622204 0.79 MMP14 (0.32) MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160318955-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. 2016-11-03 US disclosed
US-20160318955-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. 2016-11-03 US disclosed
US-9416146-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2016-08-16 US disclosed
US-9416146-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2016-08-16 US disclosed
US-20150291629-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, LLC 2015-10-15 US disclosed
US-20150291629-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, LLC 2015-10-15 US disclosed
US-9012431-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2015-04-21 US disclosed
US-9012431-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2015-04-21 US disclosed
US-20140011768-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, LLC 2014-01-09 US disclosed
US-20140011768-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, LLC 2014-01-09 US disclosed
US-8461135-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US disclosed
US-8461135-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US disclosed
EP-2564857-A1 Boron-containing small molecules as anti-inflammatory agents Anacor Pharmaceuticals, Inc. (US) 2013-03-06 EP disclosed
US-20120214765-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2012-08-23 US disclosed
US-20120214765-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2012-08-23 US disclosed
US-8039450-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2011-10-18 US disclosed
US-8039450-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2011-10-18 US disclosed
US-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. (US) 2009-11-26 US disclosed
US-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. (US) 2009-11-26 US disclosed
WO-2009111676-A2 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC (US) 2009-09-11 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 (5 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-20140011768-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, CD68 MMP14 1013/4885MMP13 279/4885SLC6A4 4340/4885
US-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 MMP14 1013/4885MMP13 279/4885SLC6A4 4340/4885
US-20160318955-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 MMP14 1013/4885MMP13 279/4885SLC6A4 4340/4885
US-20150291629-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 MMP14 1013/4885MMP13 279/4885SLC6A4 4340/4885
US-20120214765-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, CD68 MMP14 1013/4885MMP13 279/4885SLC6A4 4340/4885

“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.