SCHEMBL447764

SCHEMBL447764

O=S(=O)(c1[c]cccc1)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
CA2 P00918 2/20 0.32
GPR3 P46089 1/20 0.32
CA1 P00915 1/20 0.32
CA5A P35218 1/20 0.32
CA9 Q16790 1/20 0.32
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
EPAS1 Q99814 1/20 0.30
FAAH O00519 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
ELANE P08246 1/20 0.30
PRTN3 P24158 1/20 0.30
PRSS3 P35030 1/20 0.30
PTPRZ1 P23471 1/20 0.30

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
SCHEMBL15323249 0.84 CA1 (0.31) CA2CA1CA5ACA9
SCHEMBL17046690 0.81 CA1 (0.33) CA2CA1
SCHEMBL3300615 0.79 L3MBTL1 (0.39) ALDH1A1LMNA
SCHEMBL1727931 0.76 ELANE (0.38) FAAHPRSS1PRSS2ELANEPRTN3
SCHEMBL3053466 0.76 ALDH1A1 (0.36) ALDH1A1CA2GPR3CA1CA5A
SCHEMBL150811 0.75 HTR6 (0.38) CA2CA1CA5ACA9FAAH
SCHEMBL7403541 0.74 PTPN1 (0.41) ALDH1A1CA2CA1CA9LMNA
SCHEMBL8387010 0.73 HTR6 (0.31) CA2CA1CA5ACA9FAAH
SCHEMBL3541896 0.72 ALOX15 (0.39) ALDH1A1CA2CA1CA9LMNA
SCHEMBL600073 0.71 ALDH1A1 (0.42) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117024430-A Bipyrimidine fluorene compound, organic electroluminescent element and consumer product 浙江八亿时空先进材料有限公司 2023-11-10 CN claimed
CN-114188606-B Electrolyte and application thereof 傲普(上海)新能源有限公司 2023-04-21 CN claimed
EP-4146643-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES Bayer Aktiengesellschaft (DE) 2023-03-15 EP claimed
CN-114907361-A Trimeric heterocyclic derivative and application thereof 北京八亿时空液晶科技股份有限公司 2022-08-16 CN claimed
CN-114583278-A Low-temperature electrolyte of lithium ion battery and lithium ion battery 傲普(上海)新能源有限公司 2022-06-03 CN claimed
CN-114373989-A Electrolyte and application thereof 傲普(上海)新能源有限公司 2022-04-19 CN claimed
CN-114256431-A Material for organic electroluminescent element, and consumer product 上海八亿时空先进材料有限公司 2022-03-29 CN claimed
CN-114243112-A Flame-retardant electrolyte and application thereof 傲普(上海)新能源有限公司 2022-03-25 CN claimed
CN-114213409-A Material for organic electroluminescent element, and consumer product 上海八亿时空先进材料有限公司 2022-03-22 CN claimed
CN-114188606-A Electrolyte and application thereof 傲普(上海)新能源有限公司 2022-03-15 CN claimed
US-8309737-B2 Phosphinate ruthenium complexes IDENIX PHARMACEUTICALS, INC. (US) 2012-11-13 US claimed
US-20120041191-A1 PHOSPHINATE RUTHENIUM COMPLEXES IDENIX PHARMACEUTICALS, INC. (US) 2012-02-16 US claimed
EP-2393822-A1 PHOSPHINATE RUTHENIUM COMPLEXES IDENIX Pharmaceuticals, Inc. (US) 2011-12-14 EP claimed
WO-2010090976-A1 PHOSPHINATE RUTHENIUM COMPLEXES IDENIX PHARMACEUTICALS, INC. (US) 2010-08-12 WO claimed
WO-2010065824-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-06-10 WO claimed
EP-1194417-A1 PHENOXY FLUOROPYRIMIDINES BAYER AG (DE) 2002-04-10 EP claimed
US-6184234-B1 EFFECTIVE AGRICULTURAL PESTICIDE FOR TOBACCO, BEETS, BEANS, CABBAGE CROPS FMC CORPORATION 2001-02-06 US claimed
WO-2000078733-A1 PHENOXY FLUOROPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 WO claimed
EP-0550900-A1 Herbicidal and plant-nematocidal compositions based on mercaptonicotinic acid derivatives BAYER AG (DE) 1993-07-14 EP claimed
US-4459304-A MITICIDES, NEMATOCIDES, FUNGICIDES, BACTERICIDES, INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1984-07-10 US claimed

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

For each of this compound's patents that has machine-readable text (1 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-20120041191-A1 PHOSPHINATE RUTHENIUM COMPLEXES RPIA, NDUFS7, PHOSPHO1 ALDH1A1 3900/4885CA2 2631/4885GPR3 4519/4885

“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.