SCHEMBL187298

SCHEMBL187298

CCOC(=O)c1ccc(F)cc1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.70
CA1 P00915 4/20 0.70
CA2 P00918 4/20 0.70
CA7 P43166 4/20 0.70
CA9 Q16790 4/20 0.70
CA14 Q9ULX7 4/20 0.70
TSHR P16473 3/20 0.56
MAPT P10636 2/20 0.54
KDM4E B2RXH2 2/20 0.54
POLB P06746 3/20 0.52
RAB9A P51151 2/20 0.52
MEN1 O00255 1/20 0.52
USP2 O75604 1/20 0.52
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 1/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
SERPINE1 P05121 1/20 0.50
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47

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
SCHEMBL3895996 0.86 CA12 (0.70) CA12CA1CA2CA7CA9
SCHEMBL4628672 0.86 TSHR (0.60) CA12CA1CA2CA7CA9
SCHEMBL367075 0.84 TSHR (0.57) CA12CA1CA2CA7CA9
SCHEMBL5247862 0.84 TSHR (0.57) CA12CA1CA2CA7CA9
SCHEMBL2543216 0.82 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL30968706 0.82 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL3309126 0.82 CA12 (0.74) CA12CA1CA2CA7CA9
SCHEMBL30968705 0.82 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL5777608 0.81 TSHR (0.55) CA12CA1CA2CA7CA9
SCHEMBL2546863 0.81 TSHR (0.55) 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 87 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3246034-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS Anacor Pharmaceuticals, Inc. (US) 2017-11-22 EP disclosed
EP-3246034-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS Anacor Pharmaceuticals, Inc. (US) 2017-11-22 EP disclosed
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-9023882-B2 5-membered nitrogen containing heterocyclic derivatives and pharmaceutical compositions comprising the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-05-05 US disclosed
US-9012431-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2015-04-21 US disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 US disclosed
WO-2004094431-A2 2-ALKYNYL-AND 2-ALKENYL-PYRAZOLO-[4,3-E]-1,2,4-TRIAZOLO-[1,5-C]-PYRIMIDINE ADENOSINE A2A RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2004-11-04 WO disclosed
EP-0613468-B1 Substituted salicylic acids for the treatment of autoimmune diseases PHARMACIA & UPJOHN AB (SE) 2000-07-12 EP disclosed
CN-1042631-C Novel substituted salicylic acids KABI PHARMACIA AB (SE) 1999-03-24 CN disclosed
US-5556855-A TREATMENT OF AUTOIMMUNE DISEASES PHARMACIA AB (SE) 1996-09-17 US disclosed
US-5403930-A Chemical intermediate for drugs used in autoimmune diseases PHARMACIA AB (SE) 1995-04-04 US disclosed
EP-0613468-A1 NOVEL SUBSTITUTED SALICYCLIC ACIDS Pharmacia & Upjohn Aktiebolag (SE) 1994-09-07 EP disclosed
CN-1088918-A The salicylic acid compounds of new replacement KABI PHARMACIA AB (SE) 1994-07-06 CN disclosed
US-5302718-A Used for treating autoimmune diseases KABI PHARMACIA AB (SE) 1994-04-12 US disclosed
WO-1993010094-A1 NOVEL SUBSTITUTED SALICYCLIC ACIDS KABI PHARMACIA AB (SE) 1993-05-27 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 (3 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-20160318955-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 CA12 1032/4885CA1 1538/4885CA2 829/4885
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 CA12 4630/4885CA1 3680/4885CA2 1733/4885
US-20150291629-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 CA12 1032/4885CA1 1538/4885CA2 829/4885

“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.