SCHEMBL13610311

SCHEMBL13610311

COc1ccc(CSSSCc2nc3ccccc3s2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.54
MAPT P10636 8/20 0.54
ALDH1A1 P00352 6/20 0.54
GAA P10253 3/20 0.54
HPGD P15428 2/20 0.54
USP2 O75604 1/20 0.54
SMN1; SMN2 Q16637 8/20 0.53
NPC1 O15118 8/20 0.53
PKM P14618 5/20 0.53
KDM4E B2RXH2 2/20 0.53
KMT2A Q03164 7/20 0.51
MEN1 O00255 6/20 0.51
LMNA P02545 3/20 0.51
HTT P42858 3/20 0.51
TSHR P16473 2/20 0.49
TP53 P04637 1/20 0.49
GALK1 P51570 1/20 0.49
NFKB1 P19838 3/20 0.47
NFKB2 Q00653 3/20 0.47
RELA Q04206 3/20 0.47

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
SCHEMBL13610524 0.86 RAB9A (0.55) RAB9AMAPTALDH1A1GAAHPGD
SCHEMBL13610375 0.84 RAB9A (0.44) RAB9AMAPTALDH1A1GAAHPGD
SCHEMBL30306716 0.84 RAB9A (0.61) RAB9AMAPTALDH1A1GAAHPGD
SCHEMBL28984549 0.84 RAB9A (0.61) RAB9AMAPTALDH1A1GAAHPGD
SCHEMBL13610356 0.83 SMN1; SMN2 (0.53) RAB9AMAPTALDH1A1HPGDUSP2
SCHEMBL28782647 0.81 FBP1 (0.59) RAB9AMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL9353698 0.77 MAPT (0.67) RAB9AMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL13610516 0.76 SMN1; SMN2 (0.51) RAB9AMAPTALDH1A1HPGDUSP2
SCHEMBL13610461 0.75 SMN1; SMN2 (0.43) RAB9AMAPTALDH1A1GAAHPGD
SCHEMBL13610437 0.74 RAB9A (0.44) RAB9AMAPTALDH1A1GAAHPGD

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 4609/4885MAPT 3990/4885ALDH1A1 285/4885

“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.