SCHEMBL775898

SCHEMBL775898

O=S(=O)(O)CCc1cccc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.53
DAO P14920 2/20 0.46
SLC6A3 Q01959 2/20 0.45
IDO1 P14902 2/20 0.43
AGXT P21549 2/20 0.43
DRD2 P14416 1/20 0.42
SLC6A4 P31645 1/20 0.42
NR3C2 P08235 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MGLL Q99685 1/20 0.41

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
SCHEMBL6927695 0.85 TAAR1 (0.57) TAAR1DAOSLC6A3IDO1AGXT
SCHEMBL777783 0.82 TAAR1 (0.48) TAAR1DAOIDO1AGXTMEN1
SCHEMBL4881416 0.81 TAAR1 (0.58) TAAR1DAOSLC6A3IDO1AGXT
SCHEMBL2239914 0.81 TAAR1 (0.53) TAAR1DAOSLC6A3IDO1AGXT
SCHEMBL5503782 0.81 NOS1 (0.50) TAAR1SLC6A3SLC6A4
SCHEMBL5500434 0.81 MPO (0.48) TAAR1
SCHEMBL778663 0.80 DAO (0.38) DAOIDO1NR3C2
SCHEMBL9477879 0.79 MGLL (0.58) TAAR1IDO1DRD2MGLL
SCHEMBL3255075 0.79 TAAR1 (0.55) TAAR1MEN1KMT2A
SCHEMBL6988122 0.79 TAAR1 (0.54) TAAR1DAOSLC6A3NR3C2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9216988-B2 Benzyl sulfonamide derivatives as RORc modulators GENENTECH, INC. (US) 2015-12-22 US claimed
CN-104523668-B High-purity 2- [4- (3-or 2-fluorobenzyloxy) benzylamino ] propanamides and use thereof 纽朗制药有限公司 2020-06-09 CN disclosed
US-9343777-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-05-17 US disclosed
US-9252457-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-02 US disclosed
US-9216988-B2 Benzyl sulfonamide derivatives as RORc modulators GENENTECH, INC. (US) 2015-12-22 US disclosed
US-20130190288-A1 BENZYL SULFONAMIDE DERIVATIVES AS RORC MODULATORS GENENTECH, INC. (US) 2013-07-25 US disclosed
US-20120177988-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-07-12 US disclosed
US-20120070731-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-03-22 US disclosed
US-20090325065-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2009-12-31 US 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 (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-20130190288-A1 BENZYL SULFONAMIDE DERIVATIVES AS RORC MODULATORS RORA, RORC, RORB TAAR1 607/4885DAO 4461/4885SLC6A3 2551/4885

“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.