SCHEMBL2549970

SCHEMBL2549970

CCOC(=O)c1cc(F)c(F)cc1Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.60
MAPT P10636 1/20 0.60
HPGD P15428 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
CYP1A2 P05177 1/20 0.59
CYP2C19 P33261 1/20 0.59
GAA P10253 2/20 0.57
CYP4F2 P78329 1/20 0.54
CYP4A11 Q02928 1/20 0.54
BAZ2B Q9UIF8 1/20 0.54
BAZ2A Q9UIF9 1/20 0.54
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA12 O43570 1/20 0.52
CA9 Q16790 1/20 0.52
GUSB P08236 1/20 0.49
TSHR P16473 1/20 0.48
POLB P06746 1/20 0.47
APEX1 P27695 1/20 0.47
PKM P14618 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
SCHEMBL8335693 0.91 CYP4F2 (0.53) LMNAMAPTHPGDSMN1; SMN2CYP1A2
SCHEMBL5280799 0.88 CYP4F2 (0.49) LMNAMAPTHPGDSMN1; SMN2CYP1A2
SCHEMBL4681116 0.87 CA1 (0.51) LMNAMAPTHPGDSMN1; SMN2CYP1A2
SCHEMBL2474949 0.87 CYP4F2 (0.52) LMNAMAPTHPGDSMN1; SMN2CYP1A2
SCHEMBL30508547 0.87 CA1 (0.51) LMNAMAPTHPGDSMN1; SMN2CYP1A2
SCHEMBL6841276 0.87 CYP4F2 (0.52) LMNAMAPTHPGDSMN1; SMN2CYP1A2
SCHEMBL29039368 0.87 CA1 (0.51) LMNAMAPTHPGDSMN1; SMN2CYP1A2
SCHEMBL9248670 0.86 CYP1A2 (0.60) LMNAMAPTHPGDSMN1; SMN2CYP1A2
SCHEMBL30998146 0.86 CYP4F2 (0.50) LMNAMAPTHPGDSMN1; SMN2CYP1A2
SCHEMBL11983158 0.84 CYP4F2 (0.47) LMNAMAPTHPGDSMN1; SMN2CYP1A2

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
EP-3246034-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS Anacor Pharmaceuticals, Inc. (US) 2017-11-22 EP disclosed
WO-2017004609-A1 THIADIAZOLE MODULATORS OF S1P AND METHODS OF MAKING AND USING EXELIXIS, INC. (US) 2017-01-05 WO disclosed
WO-2017004609-A1 THIADIAZOLE MODULATORS OF S1P AND METHODS OF MAKING AND USING EXELIXIS, INC. (US) 2017-01-05 WO 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-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-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
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-8039450-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2011-10-18 US disclosed
CN-102014927-A Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS INC 2011-04-13 CN disclosed
US-20100249071-A1 Modulators of S1P and Methods of Making And Using EXELIXIS, INC. (US) 2010-09-30 US disclosed
EP-2187893-A2 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS Anacor Pharmaceuticals, Inc. (US) 2010-05-26 EP 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
EP-0355774-B1 Nucleus-fluorinated aromatic carboxylates and processes for their production ASAHI GLASS CO LTD (JP) 1995-04-26 EP disclosed
US-4985588-A Nucleus-fluorinated aromatic carboxylates and processes for their production ASAHI GLASS COMPANY LTD. (JP) 1991-01-15 US disclosed
EP-0355774-A2 Nucleus-fluorinated aromatic carboxylates and processes for their production ASAHI GLASS COMPANY LTD. (JP) 1990-02-28 EP 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 (6 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 LMNA 3610/4885MAPT 3509/4885HPGD 1025/4885
US-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 LMNA 3610/4885MAPT 3509/4885HPGD 1025/4885
US-20160318955-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 LMNA 3610/4885MAPT 3509/4885HPGD 1025/4885
US-20150291629-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 LMNA 3610/4885MAPT 3509/4885HPGD 1025/4885
US-20100249071-A1 Modulators of S1P and Methods of Making And Using S1PR5, S1PR1, S1PR2 LMNA 2410/4885MAPT 4430/4885HPGD 811/4885
US-20120214765-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, CD68 LMNA 3610/4885MAPT 3509/4885HPGD 1025/4885

“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.