SCHEMBL13610462

SCHEMBL13610462

FC(F)(F)c1ccc(SSSCc2ccc3nonc3c2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.41
ALDH1A1 P00352 5/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HSD17B3 P37058 1/20 0.37
MET P08581 1/20 0.36
KCNJ1 P48048 1/20 0.34
KCNH2 Q12809 1/20 0.34
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 2/20 0.33
RECQL P46063 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TOP2A P11388 2/20 0.32
NPSR1 Q6W5P4 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31

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
SCHEMBL13610393 0.80 RAB9A (0.43) ALDH1A1RAB9A
SCHEMBL13610360 0.80 MAPT (0.40) ALDH1A1HSD17B3RAB9AKDM4ERECQL
SCHEMBL13610441 0.79 HSD17B3 (0.34) ALDH1A1HSD17B3RAB9AKDM4ERECQL
SCHEMBL13610386 0.78 EPHX1 (0.44) ALDH1A1ALOX15TSHRMAPK1HSD17B10
SCHEMBL13610381 0.76 PPARD (0.39) ALDH1A1HSD17B3KCNH2RAB9AKDM4E
SCHEMBL13610325 0.76 AHR (0.40) ALDH1A1TSHRRAB9AKDM4EMAPT
SCHEMBL13610351 0.71 ALDH1A1 (0.48) CXCR2ALDH1A1ALOX15TSHRMAPK1
SCHEMBL13610501 0.70 PIEZO1 (0.36) ALDH1A1HSD17B3RAB9AKDM4ERECQL
SCHEMBL13610483 0.70 RAB9A (0.50) ALDH1A1TSHRHSD17B10HSD17B3RAB9A
SCHEMBL13610374 0.70 ALDH1A1 (0.42) CXCR2ALDH1A1ALOX15TSHRMAPK1

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 CXCR2 1782/4885ALDH1A1 285/4885ALOX15 828/4885

“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.