SCHEMBL13610448

SCHEMBL13610448

c1coc(CSSSCc2ccc3nonc3c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.44
TSHR P16473 4/20 0.44
MAPK1 P28482 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALOX15 P16050 1/20 0.44
KCNJ1 P48048 2/20 0.38
KCNH2 Q12809 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MAPT P10636 4/20 0.38
KDM4E B2RXH2 3/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
BLM P54132 1/20 0.38
TOP2A P11388 2/20 0.35
ALOX12 P18054 1/20 0.35
PKM P14618 2/20 0.35
POLB P06746 4/20 0.34
ENPP2 Q13822 1/20 0.33

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
SCHEMBL13610351 0.77 ALDH1A1 (0.48) ALDH1A1TSHRMAPK1HSD17B10ALOX15
SCHEMBL13610428 0.76 TSHR (0.36) ALDH1A1TSHRHSD17B10SMN1; SMN2MAPT
SCHEMBL25435114 0.76 TSHR (0.47) ALDH1A1TSHRHSD17B10SMN1; SMN2MAPT
SCHEMBL13610449 0.75 ALDH1A1 (0.46) ALDH1A1TSHRMAPK1HSD17B10ALOX15
SCHEMBL13610454 0.74 ALDH1A1 (0.43) ALDH1A1TSHRMAPK1HSD17B10ALOX15
SCHEMBL13610460 0.73 ALDH1A1 (0.48) ALDH1A1TSHRMAPK1HSD17B10ALOX15
SCHEMBL13610307 0.73 MAPK1 (0.48) ALDH1A1TSHRMAPK1HSD17B10ALOX15
SCHEMBL13610336 0.73 MEN1 (0.53) ALDH1A1TSHRMAPK1HSD17B10SMN1; SMN2
SCHEMBL13610386 0.73 EPHX1 (0.44) ALDH1A1TSHRMAPK1HSD17B10ALOX15
SCHEMBL13610458 0.73 ALDH1A1 (0.42) ALDH1A1TSHRMAPK1HSD17B10ALOX15

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 ALDH1A1 285/4885TSHR 1867/4885MAPK1 4581/4885

“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.