SCHEMBL3880485

SCHEMBL3880485

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
FFAR4 Q5NUL3 1/20 0.39
HSP90AA1 P07900 2/20 0.36
PLA2G2A P14555 3/20 0.36
LMNA P02545 3/20 0.36
KDM4E B2RXH2 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TSHR P16473 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
HSP90B1 P14625 1/20 0.36
XBP1 P17861 1/20 0.35
HIF1A Q16665 1/20 0.35
LTA4H P09960 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 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
SCHEMBL3866806 0.92 MAPT (0.41) MAPTFFAR4HSP90AA1PLA2G2ALMNA
SCHEMBL3870490 0.92 MAPT (0.43) MAPTFFAR4HSP90AA1PLA2G2ALMNA
SCHEMBL3867566 0.91 MAPT (0.40) MAPTFFAR4HSP90AA1LMNAKDM4E
SCHEMBL13850730 0.91 MAPT (0.43) MAPTFFAR4HSP90AA1PLA2G2ALMNA
SCHEMBL3867620 0.90 FFAR4 (0.46) MAPTFFAR4HSP90AA1PLA2G2ALMNA
SCHEMBL3873995 0.90 MAPT (0.44) MAPTFFAR4HSP90AA1PLA2G2AKDM4E
SCHEMBL3867687 0.89 MAPT (0.41) MAPTFFAR4HSP90AA1PLA2G2ALMNA
SCHEMBL3870147 0.88 MAPT (0.42) MAPTFFAR4HSP90AA1PLA2G2AKDM4E
SCHEMBL3866785 0.88 MAPT (0.42) MAPTFFAR4HSP90AA1PLA2G2AKDM4E
SCHEMBL3866553 0.87 MAPT (0.41) MAPTFFAR4HSP90AA1PLA2G2AKDM4E

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 7 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-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 MAPT 4308/4885FFAR4 4165/4885HSP90AA1 4501/4885
US-20060247212-A1 Heterocyclic compounds having inhibitory activity against HIV integrase CYP3A7, CDK7, CYP2A7 MAPT 4304/4885FFAR4 4182/4885HSP90AA1 4477/4885
US-20060128669-A1 Heterocyclic compounds having inhibitory activity against hiv integrase CYP3A7, CDK7, CYP2A7 MAPT 4308/4885FFAR4 4165/4885HSP90AA1 4501/4885

“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.