SCHEMBL5872041

SCHEMBL5872041

COc1ccc(-n2nc(C)c3c2C(=O)N(c2ccc(/C(=N/S(C)(=O)=O)N(C)C)cc2)CC3)cc1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.66
PDE4B Q07343 3/20 0.66
PDE4C Q08493 3/20 0.66
PDE4D Q08499 3/20 0.66
F10 P00742 17/20 0.52
F2 P00734 1/20 0.51

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
SCHEMBL4594215 1.00 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL4594167 0.89 F10 (0.68) F10F2
SCHEMBL4593858 0.88 F10 (0.68) F10F2
SCHEMBL4593859 0.88 F10 (0.68) F10F2
SCHEMBL4593728 0.88 F10 (0.64) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL4593730 0.88 F10 (0.64) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL4593889 0.83 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL4593687 0.81 F10 (0.64) F10F2
SCHEMBL4615939 0.81 F10 (0.64) F10F2
SCHEMBL4593585 0.80 F10 (0.63) F10F2

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-20040209863-A1 Sulfonyl-amidino-containing and tetrahydropyrimidino-containing compounds as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-21 US claimed
US-7122557-B2 Sulfonyl-amidino-containing and tetrahydropyrimidino-containing compounds as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-17 US disclosed
US-20040209863-A1 Sulfonyl-amidino-containing and tetrahydropyrimidino-containing compounds as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-21 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-20040209863-A1 Sulfonyl-amidino-containing and tetrahydropyrimidino-containing compounds as factor Xa inhibitors TFPI, SPINT2, TMPRSS4 PDE4A 1456/4885PDE4B 1561/4885PDE4C 2436/4885

“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.