SCHEMBL778647

SCHEMBL778647

CS(=O)(=O)OCc1cccc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.55
AGXT P21549 2/20 0.55
MAOB P27338 12/20 0.49
MAOA P21397 2/20 0.45
NR4A2 P43354 2/20 0.45
HCAR2 Q8TDS4 1/20 0.45
PARP10 Q53GL7 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43

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
SCHEMBL8063113 0.87 CA2 (0.45) IDO1AGXT
SCHEMBL5317470 0.85 IDO1 (0.47) IDO1AGXTMAOBMAOANR4A2
SCHEMBL775797 0.85 IDO1 (0.58) IDO1AGXTMAOBMAOANR4A2
SCHEMBL777170 0.84 IDO1 (0.53) IDO1AGXTMAOBMAOANR4A2
SCHEMBL780346 0.83 IDO1 (0.51) IDO1AGXTMAOBMAOANR4A2
SCHEMBL858115 0.83 TAAR1 (0.49) IDO1AGXTMAOBTAAR1
SCHEMBL28736694 0.82 IDO1 (0.55) IDO1AGXTMAOBMAOANR4A2
SCHEMBL777045 0.81 IDO1 (0.50) IDO1AGXTMAOBMAOANR4A2
SCHEMBL20868558 0.81 IDO1 (0.48) IDO1MAOB
SCHEMBL5644026 0.80 IDO1 (0.56) IDO1MAOBMAOATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12100809-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2024-09-24 US disclosed
CN-117229295-A Nitrogen-containing macrocyclic compound, and preparation method and medical application thereof 中国医药研究开发中心有限公司 2023-12-15 CN disclosed
US-20220149436-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2022-05-12 US disclosed
US-11283107-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2022-03-22 US disclosed
EP-3257842-B1 THERAPEUTIC USE OF 2-[4-(3- OR 2-FLUOROBENZYLOXY)BENZYLAMINO]PROPANAMIDES WITH HIGH PURITY DEGREE NEWRON PHARM SPA (IT) 2020-11-18 EP disclosed
EP-3621141-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2020-03-11 EP disclosed
US-20190229372-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2019-07-25 US disclosed
US-10333172-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2019-06-25 US disclosed
US-10290901-B2 2019-05-14 US disclosed
EP-3257842-A1 PROCESS FOR THE PRODUCTION OF 2-[4-(3- OR 2-FLUOROBENZYLOXY)BENZYLAMINO]PROPANAMIDES WITH HIGH PURITY DEGREE Newron Pharmaceuticals S.p.A. (IT) 2017-12-20 EP disclosed
EP-2229351-A1 PROCESS FOR THE PRODUCTION OF 2-Ý4-(3- OR 2-FLUOROBENZYLOXY)BENZYLAMINO¨PROPANAMIDES WITH HIGH PURITY DEGREE Newron Pharmaceuticals S.p.A. (IT) 2010-09-22 EP disclosed
US-20090325065-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2009-12-31 US disclosed
CN-101472880-A Process for the production of 2- [ 4- (3-and 2-fluorobenzyloxy) benzylamino ] propanamides NEWRON PHARM SPA (IT) 2009-07-01 CN disclosed
WO-2009074478-A1 PROCESS FOR THE PRODUCTION OF 2-[4-(3- OR 2-FLUOROBENZYLOXY)BENZYLAMINO]PROPANAMIDES WITH HIGH PURITY DEGREE NEWRON PHARMACEUTICALS S.P.A. (IT) 2009-06-18 WO disclosed
US-20090156678-A1 PROCESS FOR THE PRODUCTION OF 2-[4-(3- AND 2-FLUOROBENZYLOXY) BENZYLAMINO] PROPANAMIDES NEWRON PHARMACEUTICALS S.P.A. (IT) 2009-06-18 US disclosed
EP-2029524-A1 PROCESS FOR THE PRODUCTION OF 2- [4 - ( 3- AND 2-FLUOROBENZYLOXY) BENZYLAMINO] PROPAN AMIDES Newron Pharmaceuticals S.p.A. (IT) 2009-03-04 EP disclosed
EP-2012386-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2009-01-07 EP disclosed
WO-2007147491-A1 PROCESS FOR THE PRODUCTION OF 2- [4 - ( 3- AND 2-FLU0R0BENZYL0XY) BENZYLAMIN0] PROPAN AMIDES NEWRON PHARMACEUTICALS S.P.A. (IT) 2007-12-27 WO disclosed
US-20050014787-A1 5-amidino-2-hydroxybenzenesulfonamide derivatives medicinal compoistions containing the same medicinal use thereof and intermediates in the production thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2005-01-20 US disclosed
EP-1443041-A1 5-AMIDINO-2-HYDROXYBENZENESULFONAMIDE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME, MEDICINAL USE THEREOF AND INTERMEDIATES IN THE PRODUCTION THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2004-08-04 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 (2 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-20090156678-A1 PROCESS FOR THE PRODUCTION OF 2-[4-(3- AND 2-FLUOROBENZYLOXY) BENZYLAMINO] PROPANAMIDES PTMA, PSMB2, PDGFRA IDO1 1624/4885AGXT 3943/4885MAOB 129/4885
US-20050014787-A1 5-amidino-2-hydroxybenzenesulfonamide derivatives medicinal compoistions containing the same medicinal use thereof and intermediates in the production thereof F2, HYPK, F10 IDO1 3185/4885AGXT 259/4885MAOB 385/4885

“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.