SCHEMBL3870490

SCHEMBL3870490

COC(=O)c1cc(Cc2cc(C(=O)OC)c(O)c3ncc(Cc4ccc(F)cc4)cc23)c2cc(Cc3ccc(F)cc3)cnc2c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
HSP90AA1 P07900 2/20 0.39
HSP90B1 P14625 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 2/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GRM2 Q14416 3/20 0.37
FFAR4 Q5NUL3 1/20 0.36
PLA2G2A P14555 3/20 0.36
KDM5A P29375 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL13850730 0.94 MAPT (0.43) MAPTHSP90AA1HSP90B1ALDH1A1HPGD
SCHEMBL13850797 0.94 MAPT (0.39) MAPTHSP90AA1HSP90B1ALDH1A1HPGD
SCHEMBL3873995 0.94 MAPT (0.44) MAPTHSP90AA1HSP90B1ALDH1A1HPGD
SCHEMBL3867687 0.93 MAPT (0.41) MAPTHSP90AA1HSP90B1ALDH1A1HPGD
SCHEMBL3880485 0.92 MAPT (0.41) MAPTHSP90AA1HSP90B1ALDH1A1HPGD
SCHEMBL3866806 0.92 MAPT (0.41) MAPTHSP90AA1HSP90B1ALDH1A1HPGD
SCHEMBL3867566 0.91 MAPT (0.40) MAPTHSP90AA1HSP90B1ALDH1A1HPGD
SCHEMBL6218258 0.90 MAPT (0.44) MAPTHSP90AA1HSP90B1ALDH1A1HPGD
SCHEMBL3867620 0.90 FFAR4 (0.46) MAPTHSP90AA1HSP90B1ALDH1A1HPGD
SCHEMBL3866625 0.90 MAPT (0.39) MAPTHSP90AA1HSP90B1ALDH1A1HPGD

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 8 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
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-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

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 MAPT 4308/4885HSP90AA1 4501/4885HSP90B1 4170/4885
US-20060247212-A1 Heterocyclic compounds having inhibitory activity against HIV integrase CYP3A7, CDK7, CYP2A7 MAPT 4304/4885HSP90AA1 4477/4885HSP90B1 4142/4885
US-20060128669-A1 Heterocyclic compounds having inhibitory activity against hiv integrase CYP3A7, CDK7, CYP2A7 MAPT 4308/4885HSP90AA1 4501/4885HSP90B1 4170/4885

“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.