SCHEMBL3867620

SCHEMBL3867620

COC(=O)c1cc(CCC(=O)O)c2cc(Cc3ccc(F)cc3)cnc2c1O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.46
MAPT P10636 2/20 0.39
LTA4H P09960 1/20 0.39
HSP90AA1 P07900 2/20 0.37
FFAR1 O14842 2/20 0.37
PLA2G2A P14555 3/20 0.37
HSP90B1 P14625 1/20 0.37
POLB P06746 1/20 0.35
TBXAS1 P24557 1/20 0.35
P4HTM Q9NXG6 1/20 0.34
LMNA P02545 1/20 0.34
XBP1 P17861 1/20 0.34
HIF1A Q16665 1/20 0.34
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL11948561 0.90 PDE3B (0.41) FFAR4MAPTLTA4HHSP90AA1FFAR1
SCHEMBL3880485 0.90 MAPT (0.41) FFAR4MAPTLTA4HHSP90AA1PLA2G2A
SCHEMBL3870490 0.90 MAPT (0.43) FFAR4MAPTHSP90AA1PLA2G2AHSP90B1
SCHEMBL13850837 0.89 FFAR4 (0.45) FFAR4MAPTLTA4HHSP90AA1FFAR1
SCHEMBL13850730 0.89 MAPT (0.43) FFAR4MAPTHSP90AA1PLA2G2AHSP90B1
SCHEMBL3873995 0.88 MAPT (0.44) FFAR4MAPTHSP90AA1PLA2G2AHSP90B1
SCHEMBL3867687 0.87 MAPT (0.41) FFAR4MAPTHSP90AA1PLA2G2AHSP90B1
SCHEMBL3866806 0.86 MAPT (0.41) FFAR4MAPTHSP90AA1PLA2G2AHSP90B1
SCHEMBL3867566 0.85 MAPT (0.40) FFAR4MAPTHSP90AA1HSP90B1LMNA
SCHEMBL13255549 0.85 PDE3B (0.40) MAPTPOLBLMNAALDH1A1HPGD

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 10 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-20090118233-A1 Heterocyclic compounds having inhibitory activity against HIV integrase MURAI HITOSHI 2009-05-07 US disclosed
EP-2045242-A1 Heterocyclic compounds having inhibitory activity against HIV integrase Shionogi&Co., Ltd. (JP) 2009-04-08 EP disclosed
EP-2045242-A1 Heterocyclic compounds having inhibitory activity against HIV integrase Shionogi&Co., Ltd. (JP) 2009-04-08 EP disclosed
EP-1541558-B1 HETEROCYCLIC COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2008-08-13 EP disclosed
US-7358249-B2 Heterocyclic compounds having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2008-04-15 US disclosed
US-7358249-B2 Heterocyclic compounds having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2008-04-15 US disclosed
US-20060247212-A1 Heterocyclic compounds having inhibitory activity against HIV integrase MURAI HITOSHI 2006-11-02 US disclosed
US-20060128669-A1 Heterocyclic compounds having inhibitory activity against hiv integrase SHIONOGI & CO., LTD. (JP) 2006-06-15 US disclosed
EP-1541558-A1 HETEROCYCLIC COMPOUND HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2005-06-15 EP 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 (3 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 4308/4885LTA4H 2293/4885
US-20060247212-A1 Heterocyclic compounds having inhibitory activity against HIV integrase CYP3A7, CDK7, CYP2A7 FFAR4 4182/4885MAPT 4304/4885LTA4H 2301/4885
US-20060128669-A1 Heterocyclic compounds having inhibitory activity against hiv integrase CYP3A7, CDK7, CYP2A7 FFAR4 4165/4885MAPT 4308/4885LTA4H 2293/4885

“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.