SCHEMBL13610380

SCHEMBL13610380

COc1ccc(SSSCc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.45
CHRM5 P08912 2/20 0.43
APP P05067 1/20 0.43
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
EPHX1 P07099 1/20 0.41
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.40
LMNA P02545 1/20 0.39
VNN1 O95497 1/20 0.39
HCRTR1 O43613 3/20 0.39
HCRTR2 O43614 3/20 0.39
IDO1 P14902 2/20 0.39
CCR6 P51684 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 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
SCHEMBL13610313 0.88 APP (0.53) APPBCHEACHEMAOBMAOA
SCHEMBL13610359 0.84 APP (0.46) APPMAOBMAOALMNAIDO1
SCHEMBL13610392 0.76 GAA (0.49) EPHX1MAOBIDO1
SCHEMBL9062440 0.74 GRIN2B (0.56) GRIN2BCHRM5MAOBLMNAVNN1
SCHEMBL13610379 0.74 EPHX1 (0.40) GRIN2BCHRM5BCHEACHEEPHX1
SCHEMBL13610372 0.74 BCHE (0.43) GRIN2BCHRM5BCHEACHEEPHX1
SCHEMBL514500 0.74 CA1 (0.58) GRIN2BACHELMNACCR6
SCHEMBL944451 0.72 EPHX2 (0.50) MAOBALDH1A1TSHR
SCHEMBL769511 0.72 IDO1 (0.59) APPBCHEACHEMAOBMAOA
SCHEMBL13610378 0.72 BCHE (0.47) GRIN2BBCHEACHEEPHX1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8334316-B2 Substituted organosulfur compounds and methods of using thereof ACEA BIOSCIENCES, INC. (US) 2012-12-18 US disclosed
US-8334316-B2 Substituted organosulfur compounds and methods of using thereof ACEA BIOSCIENCES, INC. (US) 2012-12-18 US disclosed
US-7622507-B2 Substituted organosulfur compounds and methods of using thereof ACEA BIOSCIENCES INC. (US) 2009-11-24 US disclosed
US-7622507-B2 Substituted organosulfur compounds and methods of using thereof ACEA BIOSCIENCES INC. (US) 2009-11-24 US disclosed
US-20090192146-A1 SUBSTITUTED ORGANOSULFUR COMPOUNDS AND METHODS OF USING THEREOF ACEA BIOSCIENCES, INC. (US) 2009-07-30 US disclosed
US-20090192146-A1 SUBSTITUTED ORGANOSULFUR COMPOUNDS AND METHODS OF USING THEREOF ACEA BIOSCIENCES, INC. (US) 2009-07-30 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-20090192146-A1 SUBSTITUTED ORGANOSULFUR COMPOUNDS AND METHODS OF USING THEREOF TST, CTH, CBS GRIN2B 2178/4885CHRM5 4714/4885APP 4780/4885

“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.