SCHEMBL13850837

SCHEMBL13850837

COC(=O)c1cc(CCC(=O)O)c2cc(Cc3ccc(F)cc3)cnc2c1OC

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.45
MAPT P10636 1/20 0.39
FFAR1 O14842 2/20 0.39
LTA4H P09960 1/20 0.38
PLA2G2A P14555 2/20 0.37
GRM2 Q14416 2/20 0.35
CNR1 P21554 3/20 0.35
CNR2 P34972 3/20 0.35
HSP90AA1 P07900 1/20 0.35
TBXAS1 P24557 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL13850839 0.92 CYP11B1 (0.39) FFAR4MAPTPLA2G2AGRM2CNR1
SCHEMBL13255531 0.92 PDE3B (0.40) FFAR4MAPTFFAR1
SCHEMBL3867620 0.89 FFAR4 (0.46) FFAR4MAPTFFAR1LTA4HPLA2G2A
SCHEMBL13850799 0.89 MAPT (0.42) FFAR4MAPTPLA2G2AGRM2CNR1
SCHEMBL13850757 0.88 MAPT (0.43) MAPTPLA2G2AGRM2CNR1CNR2
SCHEMBL13875850 0.87 MAPT (0.41) FFAR4MAPTPLA2G2AGRM2CNR1
SCHEMBL13850797 0.85 MAPT (0.39) MAPTPLA2G2AGRM2CNR1CNR2
SCHEMBL13875861 0.85 MAPT (0.39) FFAR4MAPTPLA2G2AGRM2CNR1
SCHEMBL13255534 0.85 PDE3B (0.39) MAPTPOLB
SCHEMBL13255602 0.85 MAPT (0.42) FFAR4MAPTPLA2G2AGRM2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118233-A1 Heterocyclic compounds having inhibitory activity against HIV integrase MURAI HITOSHI 2009-05-07 US disclosed
US-7358249-B2 Heterocyclic compounds having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2008-04-15 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-20090118233-A1 Heterocyclic compounds having inhibitory activity against HIV integrase CYP3A7, CDK7, CYP2A7 FFAR4 4165/4885MAPT 4308/4885FFAR1 2341/4885

“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.