SCHEMBL13610475

SCHEMBL13610475

c1ccc(CSSSCc2cccnn2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
MAPT P10636 5/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 2/20 0.41
TSHR P16473 2/20 0.41
GAA P10253 2/20 0.39
HRH1 P35367 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
LIN28A Q9H9Z2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2E1 P05181 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 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
SCHEMBL13610496 0.82 RAB9A (0.35) SMN1; SMN2NPC1RAB9AMAPTKDM4E
SCHEMBL13780226 0.80 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AMAPTKDM4E
SCHEMBL11445226 0.79 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AMAPTKDM4E
SCHEMBL13610472 0.76 RAB9A (0.46) SMN1; SMN2NPC1RAB9AMAPTKDM4E
SCHEMBL13610342 0.76 NPC1 (0.36) SMN1; SMN2NPC1RAB9AALDH1A1L3MBTL1
SCHEMBL13610480 0.75 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AMAPTKDM4E
SCHEMBL13610473 0.75 ABCB1 (0.44) SMN1; SMN2NPC1RAB9AMAPTKDM4E
SCHEMBL13610417 0.74 L3MBTL1 (0.42) SMN1; SMN2NPC1RAB9AMAPTKDM4E
SCHEMBL13610341 0.73 RAB9A (0.45) SMN1; SMN2NPC1RAB9AMAPTKDM4E
SCHEMBL13610529 0.72 RAB9A (0.48) SMN1; SMN2NPC1RAB9AMAPTLMNA

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

“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.