SCHEMBL13610498

SCHEMBL13610498

c1cnc(SSSCc2cnccn2)nc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
DAO P14920 1/20 0.35
RAB9A P51151 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRA5 P31644 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP2D6 P10635 1/20 0.30
VNN1 O95497 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 0.79 RAB9A (0.46) CYP1A2CYP3A4CYP2C9CYP2C19RAB9A
SCHEMBL13610480 0.79 SMN1; SMN2 (0.46) CYP1A2CYP2C9CYP2C19RAB9AHSD17B10
SCHEMBL13610513 0.77 RAB9A (0.45) RAB9AKMT2A
SCHEMBL19940168 0.74 DAO (0.40) DAORAB9AKMT2AVNN1
SCHEMBL13610495 0.74 DAO (0.40) CYP1A2CYP3A4CYP2C9CYP2C19DAO
SCHEMBL13610503 0.72 PDK1 (0.57) RAB9AHSD17B10
SCHEMBL13610496 0.72 RAB9A (0.35) CYP1A2CYP3A4CYP2C9CYP2C19DAO
SCHEMBL13610517 0.71 FBP1 (0.40) DAORAB9ACYP2D6
SCHEMBL13610497 0.71 CYP1A2 (0.41) CYP1A2CYP3A4CYP2C9CYP2C19RAB9A
SCHEMBL11575673 0.71 DAO (0.46) CYP1A2CYP3A4CYP2C9CYP2C19DAO

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 CYP1A2 3924/4885CYP3A4 3786/4885CYP2C9 3824/4885

“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.