SCHEMBL3565658

SCHEMBL3565658

[O-][S+](Cc1cccc(Br)c1)Cc1cccc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.50
IDO1 P14902 2/20 0.48
AGXT P21549 2/20 0.48
MAOB P27338 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HCAR2 Q8TDS4 1/20 0.40
PYCR1 P32322 1/20 0.40
CYP11B1 P15538 1/20 0.40
ADRA2C P18825 1/20 0.40
CYP11B2 P19099 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38

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
SCHEMBL30837419 1.00 TAAR1 (0.50) TAAR1IDO1AGXTMAOBSMN1; SMN2
SCHEMBL21928925 0.83 TAAR1 (0.47) TAAR1IDO1AGXTMAOBSMN1; SMN2
SCHEMBL26622163 0.83 TAAR1 (0.47) TAAR1IDO1AGXTMAOBSMN1; SMN2
SCHEMBL3564528 0.74 PNMT (0.54) TAAR1IDO1AGXT
SCHEMBL30837416 0.74 PNMT (0.54) TAAR1IDO1AGXT
SCHEMBL3570833 0.74 TAAR1 (0.50) TAAR1IDO1MAOBTDP1CYP11B1
SCHEMBL776359 0.74 TAAR1 (0.50) TAAR1IDO1AGXTMAOBSMN1; SMN2
SCHEMBL30837414 0.74 TAAR1 (0.50) TAAR1IDO1AGXTMAOBSMN1; SMN2
SCHEMBL24196885 0.74 CYP1A2 (0.47) TAAR1IDO1AGXTMAOBCYP1A2
SCHEMBL4399626 0.74 TAAR1 (0.74) TAAR1IDO1AGXTMAOBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117778339-A Sulfoxide reductase mutant and application thereof in preparation of chiral sulfoxide and sulfinyl ester 遵义医科大学 2024-03-29 CN disclosed
CN-117757763-A Sulfoxide reductase mutant and application thereof in chiral sulfoxide preparation 遵义医科大学 2024-03-26 CN disclosed
US-7776582-B2 for gas chromatography; identifying an optically enhanced chiral ionic liquid (OCIL) for enantiomeric resolution SIGMA-ALDRICH CO. (US) 2010-08-17 US disclosed
US-20090145197-A1 Optically Enhanced Chiral Ionic Liquids SIGMA-ALDRICH CO. NEWCO INC. 2009-06-11 US disclosed
US-20060014955-A1 Optically enhanced chiral ionic liquids ADVANCED SEPARATION TECHNOLOGIES INC. (US) 2006-01-19 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-20060014955-A1 Optically enhanced chiral ionic liquids GCG, INF2, ELOVL3 TAAR1 1789/4885IDO1 737/4885AGXT 605/4885

“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.