SCHEMBL13610472

SCHEMBL13610472

c1ccc(CSSSCc2cnccn2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
CYP1A2 P05177 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
CYP2D6 P10635 2/20 0.44
LMNA P02545 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
HRH4 Q9H3N8 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
HRH1 P35367 1/20 0.39
METAP2 P50579 1/20 0.39
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 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

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) RAB9ACYP1A2SMN1; SMN2NPC1CYP2D6
SCHEMBL13610497 0.81 CYP1A2 (0.41) RAB9ACYP1A2SMN1; SMN2NPC1CYP2D6
SCHEMBL13780226 0.80 SMN1; SMN2 (0.47) RAB9ACYP1A2SMN1; SMN2NPC1CYP2D6
SCHEMBL13610498 0.79 CYP1A2 (0.35) RAB9ACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL11445226 0.79 SMN1; SMN2 (0.57) RAB9ACYP1A2SMN1; SMN2NPC1CYP2D6
SCHEMBL13610488 0.76 TDP1 (0.43) RAB9ACYP1A2SMN1; SMN2NPC1CYP2D6
SCHEMBL13610491 0.76 TSHR (0.37) RAB9ACYP1A2SMN1; SMN2NPC1CYP2D6
SCHEMBL13610415 0.76 MAPT (0.46) RAB9ACYP1A2SMN1; SMN2NPC1LMNA
SCHEMBL13610475 0.76 SMN1; SMN2 (0.47) RAB9ACYP1A2SMN1; SMN2NPC1CYP2D6
SCHEMBL21495059 0.76 CYP1A2 (0.65) CYP1A2SMN1; SMN2CYP2D6LMNAMAPT

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 4609/4885CYP1A2 3924/4885SMN1; SMN2 1171/4885

“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.