SCHEMBL4606077

SCHEMBL4606077

C[S+]([O-])c1nsc(-c2ccccc2F)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MPL P40238 1/20 0.36
GAA P10253 2/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
APEX1 P27695 1/20 0.33
MBNL1 Q9NR56 1/20 0.33
NPC1 O15118 6/20 0.33
RAB9A P51151 5/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
DCUN1D1 Q96GG9 2/20 0.33
TDP1 Q9NUW8 1/20 0.32
DCTPP1 Q9H773 1/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
PKM P14618 2/20 0.32
PTGS2 P35354 1/20 0.32
MEN1 O00255 2/20 0.31
NFKB1 P19838 2/20 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
SCHEMBL4605030 0.83 ALDH1A1 (0.40) ALDH1A1KDM4EGAAMGAMSI
SCHEMBL4605408 0.78 ADORA3 (0.50) ALDH1A1KDM4EGAANPC1RAB9A
SCHEMBL5306350 0.70 ALDH1A1 (0.38) ALDH1A1KDM4EGAANPC1RAB9A
SCHEMBL4603390 0.70 TSHR (0.42) ALDH1A1KDM4EMPLAPEX1MBNL1
SCHEMBL4606363 0.69 PTGS2 (0.42) ALDH1A1KDM4EMPLPTGS2
SCHEMBL8947147 0.66 NPC1 (0.43) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL13555488 0.65 F7 (0.36) ALDH1A1KDM4EMBNL1NPC1MEN1
SCHEMBL28779468 0.63 NPC1 (0.41) ALDH1A1MPLGAAMGAMSI
SCHEMBL13002818 0.62 NPC1 (0.42) ALDH1A1KDM4EMPLGAAMGAM
SCHEMBL514390 0.62 ACHE (0.42) ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1574505-B1 1,2,4-THIADIAZOLE COMPOUNDS AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2008-07-16 EP disclosed
CN-100391950-C 1,2,4-thiadiazole compounds and use thereof SUMITOMO CHEMICAL CO (JP) 2008-06-04 CN disclosed
US-7361675-B2 1,2,4-thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2008-04-22 US disclosed
US-20060167266-A1 1,2,4- thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-07-27 US disclosed
CN-1688559-A 1,2,4-thiadiazole compounds and use thereof SUMITOMO CHEMICAL CO (JP) 2005-10-26 CN disclosed
EP-1574505-A1 1,2,4-THIADIAZOLE COMPOUNDS AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2005-09-14 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 (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-20060167266-A1 1,2,4- thiadiazole compounds and use thereof CBR3, CBR1, NOX3 ALDH1A1 518/4885KDM4E 4014/4885MPL 4753/4885

“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.