SCHEMBL6207715

SCHEMBL6207715

C[C@H](N)C(=O)Oc1ccccc1SCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.51
POLB P06746 1/20 0.45
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A4 P31645 1/20 0.41
IDO1 P14902 1/20 0.41
PTPRC P08575 1/20 0.40
NPY2R P49146 1/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL8482896 0.81 PTGS2 (0.56) PTGS2POLBKMT2AL3MBTL1PTPRC
SCHEMBL78629 0.77 PTGS2 (0.54) PTGS2POLBKMT2AL3MBTL1PTPRC
SCHEMBL13402185 0.76 PTGS2 (0.41) PTGS2
SCHEMBL8648034 0.75 PTGS2 (0.51) PTGS2POLBKMT2AL3MBTL1PTPRC
SCHEMBL8650686 0.74 PTGS2 (0.54) PTGS2POLBKMT2AL3MBTL1PTPRC
SCHEMBL28842455 0.74 TSHR (0.46) KMT2A
SCHEMBL1983875 0.74 TSHR (0.46) KMT2A
SCHEMBL8530900 0.73 HTT (0.37) L3MBTL1
Hydrochloric Acid SCHEMBL29712425 0.73 L3MBTL1 (0.41) L3MBTL1
SCHEMBL9706821 0.72 L3MBTL1 (0.38) KMT2AL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313736-B1 CONDENSED PYRAZINDIONE DERIVATIVES AS INHIBITORS OF PDE5 LILLY ICOS LLC (US) 2005-07-27 EP disclosed
US-6903099-B2 Condensed pyrazindione derivatives LILLY ICOS LLC (US) 2005-06-07 US disclosed
US-20030181457-A1 Chemical compounds LILLY ICOS LLC 2003-09-25 US disclosed
EP-1313736-A2 CONDENSED PYRAZINDIONE DERIVATIVES Lilly Icos LLC (US) 2003-05-28 EP disclosed
WO-2002000657-A2 CONDENSED PYRAZINDIONE DERIVATIVES LILLY ICOS LLC (US) 2002-01-03 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-20030181457-A1 Chemical compounds ABCG2, SDHA, CYP11B1 PTGS2 1729/4885POLB 863/4885KMT2A 4392/4885

“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.