SCHEMBL6368271

SCHEMBL6368271

O=C(O)Cn1c(CCc2cccc(F)c2F)nc(=O)c2c1CSC2

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 4/20 0.38
▸ PTGDR2 Q9Y5Y4 5/20 0.35
▸ CXCR2 P25025 2/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ APEX1 P27695 1/20 0.33
▸ FABP3 P05413 1/20 0.31
▸ DPP4 P27487 1/20 0.31
▸ FABP4 P15090 1/20 0.31
▸ PTGER2 P43116 1/20 0.31

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
SCHEMBL2803850 0.84 FABP3 (0.40) CYP2C9PTGDR2CXCR2HDAC6KDM4E
SCHEMBL6368005 0.80 CXCR2 (0.34) CYP2C9PTGDR2CXCR2DPP4
SCHEMBL4713891 0.77 CYP2C9 (0.44) CYP2C9PTGDR2CXCR2HDAC6KDM4E
SCHEMBL2803782 0.77 CYP2C9 (0.54) CYP2C9PTGDR2HDAC6KDM4EALDH1A1
SCHEMBL4712638 0.76 FEN1 (0.42) CYP2C9PTGDR2CXCR2HDAC6KDM4E
SCHEMBL4715145 0.76 KDM4E (0.44) CYP2C9PTGDR2HDAC6KDM4EALDH1A1
SCHEMBL4761013 0.75 PTGDR2 (0.52) CYP2C9PTGDR2PTGER2
SCHEMBL2807725 0.75 CYP2C9 (0.55) CYP2C9PTGDR2HDAC6KDM4E
SCHEMBL14602777 0.74 CYP2C9 (0.43) CYP2C9PTGDR2CXCR2HDAC6KDM4E
SCHEMBL4718018 0.74 PTGDR2 (0.41) CYP2C9PTGDR2CXCR2KDM4EALDH1A1

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-20050033052-A1 Novel compounds SMITHKLINE BEECHAM P.L.C. (GB) 2005-02-10 — — US disclosed
EP-1442043-A1 CONDENSED PYRIMIDONE DERIVATIVES AS LP-PLA2 INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2004-08-04 — — EP disclosed
WO-2003042218-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM P.L.C. (GB) 2003-05-22 — — 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-20050033052-A1 Novel compounds LTA4H, PLA2G1B, PLA2G4B CYP2C9 2344/4885PTGDR2 136/4885CXCR2 1724/4885

“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.

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