SCHEMBL3568437

SCHEMBL3568437

[O-][S+](Cc1ccccc1Br)Cc1ccccc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.46
IDO1 P14902 2/20 0.45
TSHR P16473 2/20 0.38
CYP2A13 Q16696 1/20 0.37
LMNA P02545 2/20 0.36
PYCR1 P32322 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 1/20 0.35
NFKB1 P19838 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
BLM P54132 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
KDM1A O60341 1/20 0.33

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
SCHEMBL30837413 1.00 TAAR1 (0.46) TAAR1IDO1TSHRCYP2A13LMNA
SCHEMBL19385851 0.81 ALDH1A1 (0.40) TAAR1IDO1LMNAALDH1A1CA12
SCHEMBL12433152 0.80 PARP10 (0.41) TAAR1IDO1LMNAALDH1A1CA12
SCHEMBL2290496 0.74
SCHEMBL3386432 0.71 IDO1 (0.50) TAAR1IDO1TSHRLMNACYP1A2
SCHEMBL28957100 0.71 TAAR1 (0.46) TAAR1IDO1CYP1A2CYP2D6CYP2C19
SCHEMBL29181150 0.71 HSPA5 (0.54) TAAR1IDO1TSHRLMNACYP2D6
SCHEMBL778620 0.71 TAAR1 (0.48) TAAR1IDO1CYP2A13LMNACYP1A2
SCHEMBL776587 0.71 TAAR1 (0.46) TAAR1TSHRCYP2A13LMNAALDH1A1
SCHEMBL30837412 0.71 TAAR1 (0.48) TAAR1IDO1CYP2A13LMNACYP1A2

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
WO-2023171591-A1 PRODUCTION METHOD FOR EPISULFIDE COMPOUND 三菱瓦斯化学株式会社 2023-09-14 WO claimed
CN-104531397-A Cleaning solution for sheet glass substrate thinning pre-cleaning, and application thereof HUIJING DISPLAY TECHNOLOGY SUZHOU CO LTD 2015-04-22 CN claimed
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
WO-2023171591-A1 PRODUCTION METHOD FOR EPISULFIDE COMPOUND 三菱瓦斯化学株式会社 2023-09-14 WO disclosed
CN-104531397-A Cleaning solution for sheet glass substrate thinning pre-cleaning, and application thereof HUIJING DISPLAY TECHNOLOGY SUZHOU CO LTD 2015-04-22 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 737/4885TSHR 2649/4885

“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.