SCHEMBL4858663

SCHEMBL4858663

CC(C)c1ccc(N=C(N)c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.47
ACR P10323 1/20 0.47
SCN5A Q14524 1/20 0.46
SCN2A Q99250 1/20 0.46
GRIN2B Q13224 2/20 0.46
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
NOS3 P29474 4/20 0.43
NOS1 P29475 4/20 0.43
NOS2 P35228 3/20 0.43
HTT P42858 1/20 0.41
CYP2D6 P10635 1/20 0.41
HIF1A Q16665 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
SCHEMBL8557221 0.88 GRIN2B (0.46) PRSS1ACRGRIN2BNOS3NOS1
SCHEMBL5594052 0.85 PTGS2 (0.51) PRSS1ACRGRIN2BALDH1A1NOS3
SCHEMBL5593941 0.85 PTGS2 (0.51) PRSS1ACRGRIN2BALDH1A1NOS3
SCHEMBL5595201 0.83 CYP2D6 (0.60) PRSS1ACRGRIN2BNOS3NOS1
SCHEMBL4854998 0.83 CYP2D6 (0.60) PRSS1ACRGRIN2BNOS3NOS1
SCHEMBL5698495 0.82 PTGS2 (0.51) PRSS1GRIN2BNOS3NOS1PTGS2
SCHEMBL5594336 0.82 PTGS2 (0.51) PRSS1GRIN2BNOS3NOS1PTGS2
SCHEMBL5593964 0.81 MEN1 (0.61) GRIN2BNOS3NOS1NOS2CYP2D6
SCHEMBL5594422 0.79 MAPT (0.46) GRIN2BALDH1A1SMN1; SMN2NOS3NOS1
SCHEMBL5594042 0.78 AKR1C3 (0.50) PRSS1ACRGRIN2BALDH1A1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365069-B2 Pyrimidone derivatives BEXEL PHARMACEUTICALS INC. (US) 2008-04-29 US disclosed
US-20040259891-A1 Novel pyrimidon derivatives ORCHID CHEMICAL & PHARMACEUTICALS LIMITED (IN) 2004-12-23 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-20040259891-A1 Novel pyrimidon derivatives TYMS, TPMT, TYMP PRSS1 790/4885ACR 4142/4885SCN5A 941/4885

“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.