SCHEMBL13610430

SCHEMBL13610430

c1cnc(CSSSCc2ccc3scnc3c2)cn1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.36
TRPM5 Q9NZQ8 1/20 0.33
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
DAO P14920 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
SCHEMBL13610431 0.84 SMN1; SMN2 (0.40) ALDH1A1HSD17B10
SCHEMBL13610432 0.79 ALDH1A1 (0.33) NAMPTALDH1A1HSD17B10
SCHEMBL13610350 0.78 TDP1 (0.41) ALDH1A1HSD17B10
SCHEMBL13610455 0.77 ALDH1A1 (0.42) ALDH1A1HSD17B10DAO
SCHEMBL13610446 0.77 ALDH1A1 (0.39) NAMPTTRPM5ALDH1A1HSD17B10
SCHEMBL13610439 0.75 ALDH1A1 (0.43) ALDH1A1HSD17B10
SCHEMBL13610438 0.75 HSD17B10 (0.37) NAMPTTRPM5ALDH1A1HSD17B10
SCHEMBL13610306 0.74 L3MBTL1 (0.44) ALDH1A1
SCHEMBL13610429 0.74 ALDH1A1 (0.37) ALDH1A1HSD17B10
SCHEMBL13610433 0.73 NOTUM (0.45) ALDH1A1HSD17B10

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 NAMPT 3931/4885TRPM5 1641/4885ALDH1A1 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.