SCHEMBL13610364

SCHEMBL13610364

Fc1ccc(CSSSc2nc3ccccc3o2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
GFER P55789 1/20 0.48
PTGS2 P35354 2/20 0.47
SMN1; SMN2 Q16637 9/20 0.47
RAB9A P51151 6/20 0.47
LMNA P02545 6/20 0.47
NPC1 O15118 5/20 0.47
MAPT P10636 3/20 0.47
MAPK1 P28482 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
TSHR P16473 4/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
DDAH1 O94760 1/20 0.43

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
SCHEMBL13610327 0.83 ALDH1A1 (0.52) HPGDCYP1A2CYP2C9CYP2C19GFER
SCHEMBL13610387 0.83 SMN1; SMN2 (0.49) HPGDCYP1A2CYP2C9CYP2C19GFER
SCHEMBL28808030 0.80 HPGD (0.55) HPGDCYP1A2CYP2C9CYP2C19GFER
SCHEMBL13610464 0.80 DDAH1 (0.43) HPGDCYP1A2CYP2C9CYP2C19GFER
SCHEMBL28782619 0.78 GFER (0.50) HPGDCYP1A2CYP2C9CYP2C19GFER
SCHEMBL13780207 0.78 DDAH1 (0.41) HPGDCYP1A2CYP2C9CYP2C19GFER
SCHEMBL13610443 0.76 SMN1; SMN2 (0.40) HPGDCYP1A2CYP2C9CYP2C19GFER
SCHEMBL13610486 0.76 DDAH1 (0.43) HPGDCYP1A2CYP2C9CYP2C19GFER
SCHEMBL13610533 0.74 SMN1; SMN2 (0.72) HPGDCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL4188069 0.74 DDAH1 (0.59) HPGDCYP1A2CYP2C9CYP2C19GFER

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 HPGD 2331/4885CYP1A2 3924/4885CYP2C9 3824/4885

“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.