SCHEMBL6245643

SCHEMBL6245643

c1csc(CN2CCC3(CC2)OCCO3)n1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.59
TSHR P16473 5/20 0.58
CYP3A4 P08684 8/20 0.51
CYP2D6 P10635 8/20 0.50
USP2 O75604 2/20 0.50
ALDH1A1 P00352 3/20 0.49
MAPK1 P28482 2/20 0.49
CYP2C9 P11712 4/20 0.48
CYP1A2 P05177 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
CYP2C19 P33261 2/20 0.46

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
SCHEMBL18202978 0.80 ALOX15 (0.64) ALOX15TSHRCYP3A4CYP2D6USP2
SCHEMBL952226 0.79 ALOX15 (0.55) ALOX15TSHRCYP3A4CYP2D6USP2
SCHEMBL4487346 0.77 ALOX15 (0.59) ALOX15TSHRCYP3A4CYP2D6USP2
SCHEMBL16812421 0.76 ALOX15 (0.59) ALOX15TSHRCYP3A4CYP2D6USP2
SCHEMBL807362 0.75 ALOX15 (0.58) ALOX15TSHRCYP3A4CYP2D6USP2
SCHEMBL18199692 0.75 ALOX15 (0.58) ALOX15TSHRCYP3A4CYP2D6USP2
SCHEMBL18506828 0.75 ALOX15 (0.58) ALOX15TSHRCYP3A4CYP2D6USP2
SCHEMBL6482630 0.74 ALOX15 (0.56) ALOX15TSHRCYP3A4CYP2D6USP2
SCHEMBL14338850 0.74 ALOX15 (0.56) ALOX15TSHRCYP3A4CYP2D6USP2
SCHEMBL1958015 0.73 ALOX15 (0.52) ALOX15TSHRCYP3A4CYP2D6USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050245552-A1 N-substituted pyridinone and pyrimidinone derivatives for use as lp-pla2 inhibitors in the treatment of artherosclerosis GLAXO GROUP LIMITED (GB) 2005-11-03 US disclosed
EP-1492533-A1 N-SUBSTITUTED PYRIDINONE AND PYRIMIDINONE DERIVATIVES FOR USE AS LP-PLA2 INHIBITORS IN THE TREATMENT OF ARTHEROSCLEROSIS GLAXO GROUP LIMITED (GB) 2005-01-05 EP disclosed
WO-2003086400-A1 N-SUBSTITUTED PYRIDINONE AND PYRIMIDINONE DERIVATIVES FOR USE AS LP-PLA2 INHIBITORS IN THE TREATMENT OF ARTHEROSCLEROSIS GLAXO GROUP LIMITED (GB) 2003-10-23 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-20050245552-A1 N-substituted pyridinone and pyrimidinone derivatives for use as lp-pla2 inhibitors in the treatment of artherosclerosis PLA2G12A, PLA2G4B, PLA2G1B ALOX15 50/4885TSHR 4247/4885CYP3A4 2880/4885

“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.