SCHEMBL13610375

SCHEMBL13610375

FC(F)(F)Oc1ccc(CSSSCc2nc3ccccc3s2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.44
SMN1; SMN2 Q16637 7/20 0.44
NPC1 O15118 5/20 0.44
KMT2A Q03164 3/20 0.44
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 2/20 0.41
UBE2T Q9NPD8 1/20 0.40
ASIC3 Q9UHC3 1/20 0.40
MAPT P10636 3/20 0.40
TSHR P16473 1/20 0.40
USP2 O75604 2/20 0.39
GAA P10253 2/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
POLB P06746 1/20 0.38
LMNA P02545 2/20 0.38
GMNN O75496 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
SCHEMBL13610311 0.84 RAB9A (0.54) RAB9ASMN1; SMN2NPC1KMT2AMAPK1
SCHEMBL13610356 0.82 SMN1; SMN2 (0.53) RAB9ASMN1; SMN2NPC1KMT2AMAPK1
SCHEMBL14637443 0.79 RAB9A (0.57) RAB9ASMN1; SMN2NPC1KMT2AMAPK1
SCHEMBL13610516 0.73 SMN1; SMN2 (0.51) RAB9ASMN1; SMN2NPC1KMT2AMAPK1
SCHEMBL22389485 0.72 RAB9A (0.66) RAB9ASMN1; SMN2NPC1KMT2AL3MBTL1
SCHEMBL13610461 0.72 SMN1; SMN2 (0.43) RAB9ASMN1; SMN2NPC1KMT2AMAPK1
SCHEMBL27834925 0.72 NPC1 (0.60) RAB9ASMN1; SMN2NPC1KMT2AALDH1A1
SCHEMBL13610437 0.71 RAB9A (0.44) RAB9ASMN1; SMN2NPC1KMT2AMAPK1
SCHEMBL13610373 0.71 MEN1 (0.45) KMT2AMEN1MAPTLMNASCN5A
SCHEMBL13610524 0.71 RAB9A (0.55) RAB9ASMN1; SMN2NPC1KMT2AMAPK1

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 RAB9A 4609/4885SMN1; SMN2 1171/4885NPC1 3127/4885

“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.