Sugi Predict

Sugi Predict / Compounds / SCHEMBL1999331

SCHEMBL1999331

SCHEMBL1999331

CCOC(=O)c1cc(F)c(F)c(F)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.60
▸ CA1 P00915 3/20 0.60
▸ CA2 P00918 3/20 0.60
▸ CA7 P43166 3/20 0.60
▸ CA9 Q16790 3/20 0.60
▸ CA14 Q9ULX7 3/20 0.60
▸ ESR1 P03372 2/20 0.50
▸ CES2 O00748 1/20 0.50
▸ CES1 P23141 1/20 0.50
▸ PTPN11 Q06124 1/20 0.50
▸ ESR2 Q92731 1/20 0.50
▸ LMNA P02545 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ MAOA P21397 1/20 0.48
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CASP3 P42574 1/20 0.46

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
SCHEMBL5364253 0.89 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL23883091 0.88 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL23817387 0.85 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL15570354 0.85 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL15570471 0.85 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL21297726 0.83 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL1664013 0.83 CA12 (0.75) CA12CA1CA2CA7CA9
SCHEMBL16055405 0.82 CA12 (0.63) CA12CA1CA2CA7CA9
SCHEMBL23883069 0.82 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL23826266 0.82 CA12 (0.53) 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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114865080-A Lithium ion battery electrolyte and lithium ion battery 香河昆仑新能源材料股份有限公司 2022-08-05 — — CN claimed
CN-117448850-A Universal method for preparing polyfluoro biaryl compound without transition metal 中国科学院理化技术研究所 2024-01-26 — — CN disclosed
WO-2023177146-A1 THIADIAZOLE COMPOUND, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING INFLAMMATORY DISEASES, INCLUDING SAME 재단법인 대구경북첨단의료산업진흥재단 2023-09-21 — — WO disclosed
CN-114865080-A Lithium ion battery electrolyte and lithium ion battery 香河昆仑新能源材料股份有限公司 2022-08-05 — — CN 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-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-8952083-B2 Fluorocopolymer composition and its production process ASAHI GLASS COMPANY, LIMITED (JP) 2015-02-10 — — 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
EP-2338935-B1 FLUORINE-CONTAINING COPOLYMER COMPOSITION AND PROCESS FOR PRODUCTION THEREOF ASAHI GLASS CO LTD (JP) 2012-12-12 — — 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
US-20110172336-A1 FLUOROCOPOLYMER COMPOSITION AND ITS PRODUCTION PROCESS ASAHI GLASS COMPANY, LIMITED (JP) 2011-07-14 — — US disclosed
EP-2338935-A1 FLUORINE-CONTAINING COPOLYMER COMPOSITION AND PROCESS FOR PRODUCTION THEREOF ASAHI GLASS COMPANY, LIMITED (JP) 2011-06-29 — — EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 CA12 1032/4885CA1 1538/4885CA2 829/4885
US-20160318955-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 CA12 1032/4885CA1 1538/4885CA2 829/4885
US-20150291629-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 CA12 1032/4885CA1 1538/4885CA2 829/4885
US-20120214765-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.