SCHEMBL4803767

SCHEMBL4803767

Nc1csc(NCC(=O)O)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.46
PLK3 Q9H4B4 1/20 0.46
PI4KB Q9UBF8 1/20 0.44
PTGS2 P35354 2/20 0.42
GABRA5 P31644 1/20 0.40
GABRB2 P47870 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
PLAU P00749 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
PTGER2 P43116 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
CA12 O43570 1/20 0.34

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
SCHEMBL31742495 0.79 PI4KB (0.44) PI4KBPTGS2HSD17B10PTGER2L3MBTL1
SCHEMBL18398869 0.73
SCHEMBL4807003 0.71 HSD17B10 (0.51) PI4KBPTGS2GABRA5GABRB2HSD17B10
SCHEMBL13211468 0.70 L3MBTL1 (0.61) HSD17B10L3MBTL1MAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL28049431 0.70 GABRA5 (0.50) GABRA5GABRB2HSD17B10L3MBTL1MAPT
SCHEMBL18398868 0.70 CSNK2A1 (0.44) CSNK2A1PLK3MAPTGAANPC1
SCHEMBL9256898 0.69 ITGB3 (0.58) CSNK2A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL1582980 0.68 GABRA5 (0.52) GABRA5GABRB2HSD17B10L3MBTL1MAPT
SCHEMBL3180253 0.68 NPC1 (0.68) CSNK2A1PLK3HSD17B10MAPTNPC1
SCHEMBL18398871 0.68 NPC1 (0.51) CSNK2A1PLK3CDK5MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7381734-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2008-06-03 US disclosed
US-20050267173-A1 Serine protease inhibitors LIVELY SARAH E 2005-12-01 US disclosed
EP-1294691-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2003-03-26 EP disclosed
WO-2001096305-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2001-12-20 WO 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-20050267173-A1 Serine protease inhibitors PRSS1, TPSAB1, CMA1 CSNK2A1 1812/4885PLK3 2716/4885PI4KB 3853/4885

“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.