SCHEMBL4299916

SCHEMBL4299916

c1csc([N]c2nccs2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
HSD17B10 Q99714 4/20 0.46
TSHR P16473 1/20 0.46
NOS1 P29475 1/20 0.46
MPI P34949 1/20 0.44
FBP1 P09467 1/20 0.42
PDK1 Q15118 1/20 0.42
MAPT P10636 8/20 0.41
KMT2A Q03164 6/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
MEN1 O00255 4/20 0.41
KDM4E B2RXH2 3/20 0.41
POLB P06746 2/20 0.41
MAPK1 P28482 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 2/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
GFER P55789 1/20 0.41

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
SCHEMBL2199674 0.82 MAPT (0.55) ALDH1A1HSD17B10TSHRNOS1MPI
SCHEMBL148213 0.78
SCHEMBL148214 0.78
SCHEMBL15360188 0.78
SCHEMBL18645091 0.78
SCHEMBL3565189 0.78
SCHEMBL11498362 0.78
SCHEMBL3863920 0.76 HSD17B10 (0.35) ALDH1A1HSD17B10TSHRNOS1MPI
SCHEMBL28668055 0.76
SCHEMBL31085482 0.74

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108948106-B Preparation method of 2-hydroxy gulose receptor derivative, bleomycin disaccharide and precursor thereof 广州中医药大学(广州中医药研究院) 2021-08-10 CN disclosed
CN-108794547-B Preparation method of 3-O-carbamyl mannose donor derivative, bleomycin disaccharide and precursor thereof 广州中医药大学(广州中医药研究院) 2021-08-10 CN disclosed
EP-2610248-B1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING A PALLADIUM COMPOUND TEIJIN PHARMA LTD (JP) 2016-06-08 EP disclosed
US-8916714-B2 Method for producing phenyl-substituted heterocyclic derivative by means of coupling method using palladium compound TEIJIN PHARMA LIMITED (JP) 2014-12-23 US disclosed
EP-2610248-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING A PALLADIUM COMPOUND Teijin Pharma Limited (JP) 2013-07-03 EP disclosed
US-20130158272-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING PALLADIUM COMPOUND TEIJIN PHARMA LIMITED (JP) 2013-06-20 US disclosed
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
EP-1971596-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS Takeda Pharmaceutical Company Limited (JP) 2008-09-24 EP disclosed
WO-2007077961-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-12 WO disclosed
EP-0864573-B1 Silacyclopentadiene derivatives CHISSO CORP (JP) 2004-06-23 EP disclosed
US-6005128-A Silacyclopentadiene derivative CHISSO CORPORATION (JP) 1999-12-21 US disclosed
EP-0864573-A2 Silacyclopentadiene derivative CHISSO CORPORATION (JP) 1998-09-16 EP 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 (2 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-20130158272-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING PALLADIUM COMPOUND XDH, AOC1, PAH ALDH1A1 150/4885HSD17B10 59/4885TSHR 3154/4885
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands NR3C2, NR3C1, MC2R ALDH1A1 2708/4885HSD17B10 386/4885TSHR 187/4885

“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.