SCHEMBL4481998

SCHEMBL4481998

Cc1cc(=O)c(-c2ccc(C#Cc3ccc(C(F)(F)F)cc3)nc2)c(C)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.43
PTGES O14684 2/20 0.40
PTGES2 Q9H7Z7 1/20 0.35
ACACB O00763 3/20 0.33
KDM4E B2RXH2 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
MAOB P27338 1/20 0.33
BRD4 O60885 2/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
PTPN1 P18031 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2E1 P05181 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C8 P10632 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2A6 P11509 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL4469249 0.89 GRM5 (0.44) PTGS2PTGES
SCHEMBL13761581 0.82 PTGS2 (0.48) PTGS2KDM4EMAOBBRD4CA12
SCHEMBL4470825 0.80 PTGES (0.44) PTGS2PTGESPTGES2ACACBEGLN1
SCHEMBL9259828 0.79 PTGS2 (0.61) PTGS2MAOBCYP1A1CYP1A2CYP2E1
SCHEMBL4468876 0.76 PTGS2 (0.43) PTGS2KDM4EMAOBBRD4
SCHEMBL4471452 0.73 KDM1A (0.44) PTGS2KDM4EMAOBBRD4CYP1A2
SCHEMBL4464122 0.73 SLC2A1 (0.52) PTGESPTGES2ACACB
SCHEMBL4483751 0.73 PTGES (0.48) PTGESPTGES2ACACB
SCHEMBL9268345 0.73 PTGS2 (0.55) PTGS2MAOBPTPN1CYP1A1CYP1A2
SCHEMBL9264074 0.70 LMNA (0.49) PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579353-B2 Pyridinone derivatives against malaria GLAXO GROUP LIMITED (GB) 2009-08-25 US disclosed
US-7579353-B2 Pyridinone derivatives against malaria GLAXO GROUP LIMITED (GB) 2009-08-25 US disclosed
US-20080287461-A1 Pyridinone Derivatives Against Malaria GLAXO GROUP LIMITED (GB) 2008-11-20 US disclosed
US-20080287461-A1 Pyridinone Derivatives Against Malaria GLAXO GROUP LIMITED (GB) 2008-11-20 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-20080287461-A1 Pyridinone Derivatives Against Malaria G6PD, PNPO, PLPBP PTGS2 1111/4885PTGES 842/4885PTGES2 929/4885

“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.