SCHEMBL13610496

SCHEMBL13610496

c1cnnc(CSSSCc2cnccn2)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.35
CYP1A2 P05177 3/20 0.34
CYP2D6 P10635 1/20 0.34
VNN1 O95497 3/20 0.33
DAO P14920 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPC1 O15118 3/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
PIEZO1 Q92508 2/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPT P10636 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
TERT O14746 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL13610472 0.82 RAB9A (0.46) RAB9ACYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL13610475 0.82 SMN1; SMN2 (0.47) RAB9ACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL13610497 0.74 CYP1A2 (0.41) RAB9ACYP1A2CYP2D6VNN1CYP3A4
SCHEMBL13610491 0.73 TSHR (0.37) RAB9ACYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL13610488 0.73 TDP1 (0.43) RAB9ACYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL13610498 0.72 CYP1A2 (0.35) RAB9ACYP1A2CYP2D6VNN1DAO
SCHEMBL13610342 0.72 NPC1 (0.36) RAB9ANPC1SMN1; SMN2TERTHTT
SCHEMBL13610340 0.72 TERT (0.48) RAB9ACYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL13610495 0.70 DAO (0.40) RAB9ACYP1A2VNN1DAOCYP3A4
SCHEMBL13610415 0.70 MAPT (0.46) RAB9ACYP1A2CYP3A4CYP2C9CYP2C19

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 3924/4885CYP2D6 2915/4885

“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.