SCHEMBL13610376

SCHEMBL13610376

FC(F)(F)Oc1ccc(CSSSCc2cccnn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.41
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
SCN9A Q15858 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
RXRA P19793 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
SLC6A4 P31645 1/20 0.34
NPY5R Q15761 1/20 0.33
GPR39 O43194 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
FLT1 P17948 1/20 0.32
KDR P35968 1/20 0.32

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
SCHEMBL13610373 0.83 MEN1 (0.45) EPHX1BCHEACHESCN9ARXRA
SCHEMBL13610298 0.82 TP53 (0.40) ALDH1A1TSHRMEN1KMT2ANPC1
SCHEMBL13610342 0.80 NPC1 (0.36) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL13610369 0.76 NPC1 (0.41) EPHX1BCHEACHESCN9ACYP11B1
SCHEMBL13610372 0.74 BCHE (0.43) EPHX1BCHEACHESCN9ACA12
SCHEMBL13610379 0.74 EPHX1 (0.40) EPHX1BCHEACHESCN9ACYP11B1
SCHEMBL13610396 0.74 EPHX1 (0.43) EPHX1GRIN1GRIN2BKMT2ARAB9A
SCHEMBL13610366 0.70 RAB9A (0.46) EPHX1BCHEACHESCN9ACA12
SCHEMBL13610475 0.69 SMN1; SMN2 (0.47) ALDH1A1TSHRNPC1RAB9A
SCHEMBL13610378 0.69 BCHE (0.47) EPHX1BCHEACHESCN9ACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742635-B1 SUBSTITUTED ORGANOSULFUR COMPOUNDS AND METHODS OF USING THEREOF ACEA BIOSCIENCES INC (US) 2018-03-07 EP disclosed
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 EPHX1 1872/4885BCHE 3371/4885ACHE 4497/4885

“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.