SCHEMBL13610438

SCHEMBL13610438

c1cnc(SSSCc2ccc3scnc3c2)nc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 1/20 0.37
NAMPT P43490 1/20 0.33
MAPK1 P28482 1/20 0.32
RIPK2 O43353 1/20 0.31
EGFR P00533 1/20 0.31
KDR P35968 1/20 0.31
TGFBR1 P36897 1/20 0.31
FFAR1 O14842 1/20 0.31
AURKA O14965 1/20 0.31
DYRK2 Q92630 1/20 0.31
TRPM5 Q9NZQ8 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
SCHEMBL13610447 0.82 RAB9A (0.40) ALDH1A1RIPK2
SCHEMBL13610431 0.82 SMN1; SMN2 (0.40) HSD17B10ALDH1A1RIPK2EGFRKDR
SCHEMBL13610444 0.80 PDK1 (0.51) HSD17B10ALDH1A1NAMPTRIPK2
SCHEMBL13610350 0.78 TDP1 (0.41) HSD17B10ALDH1A1MAPK1RIPK2
SCHEMBL13610429 0.77 ALDH1A1 (0.37) HSD17B10ALDH1A1RIPK2FFAR1AURKA
SCHEMBL13610432 0.77 ALDH1A1 (0.33) HSD17B10ALDH1A1NAMPT
SCHEMBL13610446 0.77 ALDH1A1 (0.39) HSD17B10ALDH1A1NAMPTMAPK1RIPK2
SCHEMBL13610442 0.76 FBP1 (0.39) ALDH1A1MAPK1RIPK2FFAR1
SCHEMBL13610443 0.76 SMN1; SMN2 (0.40) HSD17B10ALDH1A1MAPK1
SCHEMBL13610439 0.76 ALDH1A1 (0.43) HSD17B10ALDH1A1MAPK1FFAR1

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 HSD17B10 2102/4885ALDH1A1 285/4885NAMPT 3931/4885

“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.