SCHEMBL13610455

SCHEMBL13610455

c1cnc(CSSSCc2ccc3nonc3c2)cn1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 2/20 0.42
TSHR P16473 2/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
KCNJ1 P48048 3/20 0.37
KCNH2 Q12809 3/20 0.37
CXCR2 P25025 1/20 0.35
PKM P14618 1/20 0.34
TOP2A P11388 2/20 0.34
TERT O14746 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
ALOX12 P18054 1/20 0.32
ENPP2 Q13822 1/20 0.32
DAO P14920 1/20 0.32
PIEZO1 Q92508 1/20 0.31
TGFBR1 P36897 1/20 0.30
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL13610454 0.83 ALDH1A1 (0.43) ALDH1A1HSD17B10TSHRALOX15MAPK1
SCHEMBL13610430 0.77 NAMPT (0.36) ALDH1A1HSD17B10DAO
SCHEMBL13610458 0.76 ALDH1A1 (0.42) ALDH1A1HSD17B10TSHRALOX15MAPK1
SCHEMBL13610351 0.75 ALDH1A1 (0.48) ALDH1A1HSD17B10TSHRALOX15MAPK1
SCHEMBL13610340 0.75 TERT (0.48) ALDH1A1HSD17B10MAPK1TERTSMN1; SMN2
SCHEMBL13610460 0.74 ALDH1A1 (0.48) ALDH1A1HSD17B10TSHRALOX15MAPK1
SCHEMBL13780219 0.74 ALDH1A1 (0.53) ALDH1A1HSD17B10TSHRALOX15MAPK1
SCHEMBL13610439 0.72 ALDH1A1 (0.43) ALDH1A1HSD17B10TSHRALOX15MAPK1
SCHEMBL13610307 0.71 MAPK1 (0.48) ALDH1A1HSD17B10TSHRALOX15MAPK1
SCHEMBL13610297 0.71 RAB9A (0.44) SMN1; SMN2DAOKMT2AKDM4E

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 285/4885HSD17B10 2102/4885TSHR 1867/4885

“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.