SCHEMBL3866778

SCHEMBL3866778

COC(=O)c1cc(C(=O)O)c2cc(Cc3ccc(F)cc3)cnc2c1O.[NaH].[NaH]

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
FFAR4 Q5NUL3 1/20 0.38
PLA2G2A P14555 4/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GRM2 Q14416 2/20 0.36
HSP90AA1 P07900 2/20 0.36
KDM5A P29375 2/20 0.35
KDM5B Q9UGL1 2/20 0.35
HSP90B1 P14625 1/20 0.35
LTA4H P09960 1/20 0.34
METAP2 P50579 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
SCHEMBL3870135 1.00 MAPT (0.42) MAPTFFAR4PLA2G2AALDH1A1HPGD
SCHEMBL3867709 0.99 MAPT (0.43) MAPTFFAR4PLA2G2AALDH1A1HPGD
SCHEMBL3870147 0.98 MAPT (0.42) MAPTFFAR4PLA2G2AALDH1A1HPGD
Potassium SCHEMBL3869495 0.98 MAPT (0.42) MAPTFFAR4PLA2G2AALDH1A1HPGD
SCHEMBL3866785 0.98 MAPT (0.42) MAPTFFAR4PLA2G2AALDH1A1HPGD
SCHEMBL3869489 0.98 MAPT (0.42) MAPTFFAR4PLA2G2AALDH1A1HPGD
Alcohol SCHEMBL3867585 0.96 MAPT (0.41) MAPTFFAR4PLA2G2AALDH1A1HPGD
Ethylenediamine SCHEMBL3875788 0.95 MAPT (0.40) MAPTFFAR4PLA2G2AALDH1A1HPGD
Diethanolamine SCHEMBL3867588 0.92 MAPT (0.38) MAPTFFAR4PLA2G2AALDH1A1HPGD
SCHEMBL3866553 0.91 MAPT (0.41) MAPTFFAR4PLA2G2AALDH1A1HPGD

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 6 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
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 4165/4885PLA2G2A 4460/4885
US-20060247212-A1 Heterocyclic compounds having inhibitory activity against HIV integrase CYP3A7, CDK7, CYP2A7 MAPT 4304/4885FFAR4 4182/4885PLA2G2A 4466/4885
US-20060128669-A1 Heterocyclic compounds having inhibitory activity against hiv integrase CYP3A7, CDK7, CYP2A7 MAPT 4308/4885FFAR4 4165/4885PLA2G2A 4460/4885

“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.