SCHEMBL13610441

SCHEMBL13610441

FC(F)(F)c1ccc(SSSCc2ccc3scnc3c2)nc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.34
RAB9A P51151 3/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 1/20 0.32
RECQL P46063 1/20 0.32
MAPT P10636 1/20 0.32
GSK3B P49841 1/20 0.32
NTRK1 P04629 1/20 0.31
NTRK2 Q16620 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PKM P14618 1/20 0.31
NAMPT P43490 1/20 0.31
ESR1 P03372 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
SCHEMBL13610462 0.79 CXCR2 (0.41) HSD17B3RAB9AALDH1A1KDM4ERECQL
SCHEMBL13610393 0.78 RAB9A (0.43) RAB9AALDH1A1
SCHEMBL13610360 0.78 MAPT (0.40) HSD17B3RAB9AMEN1KMT2AALDH1A1
SCHEMBL13610438 0.74 HSD17B10 (0.37) ALDH1A1NAMPT
SCHEMBL13610350 0.74 TDP1 (0.41) RAB9AMEN1NPC1KMT2AALDH1A1
SCHEMBL13610381 0.74 PPARD (0.39) HSD17B3RAB9APPARDALDH1A1KDM4E
SCHEMBL13610325 0.74 AHR (0.40) RAB9AMEN1KMT2AALDH1A1KDM4E
SCHEMBL30375905 0.71 NPC1 (0.47) RAB9AMEN1NPC1POLBKMT2A
SCHEMBL1538312 0.71 NPC1 (0.47) RAB9AMEN1NPC1POLBKMT2A
SCHEMBL13610520 0.70 RAB9A (0.45) RAB9AMEN1NPC1POLBKMT2A

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 HSD17B3 2092/4885RAB9A 4609/4885MEN1 2581/4885

“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.