SCHEMBL3877680

SCHEMBL3877680

CCOC(=O)c1cc(C(=O)O)c2cc(Cc3ccc(F)cc3)cnc2c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
KDM4E B2RXH2 4/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDE4B Q07343 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRB2 P47870 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
ALOX5 P09917 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
ALDH1A1 P00352 5/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 2/20 0.39

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
SCHEMBL3874437 0.92 ALDH1A1 (0.35) MAPTKDM4ENPSR1GAAATM
SCHEMBL13255487 0.91 MAPT (0.40) MAPTKDM4ENPSR1GAAATM
SCHEMBL13255404 0.90 MAPT (0.42) MAPTKDM4ENPSR1GAAATM
SCHEMBL3867709 0.89 MAPT (0.43) MAPTKDM4ENPSR1GAAALDH1A1
SCHEMBL13255606 0.89 MAPT (0.39) MAPTKDM4ENPSR1GAAATM
SCHEMBL3868271 0.89 KDM4E (0.38) MAPTKDM4EGAAALDH1A1MEN1
Alcohol SCHEMBL3867585 0.89 MAPT (0.41) MAPTKDM4ENPSR1GAAPDE4B
SCHEMBL13255553 0.88 PDE3B (0.47) MAPTKDM4ENPSR1GAAATM
SCHEMBL3870135 0.88 MAPT (0.42) MAPTKDM4ENPSR1GAAALDH1A1
SCHEMBL3869489 0.88 MAPT (0.42) MAPTKDM4ENPSR1GAAALDH1A1

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 4308/4885KDM4E 1722/4885NPSR1 3002/4885
US-20060247212-A1 Heterocyclic compounds having inhibitory activity against HIV integrase CYP3A7, CDK7, CYP2A7 MAPT 4304/4885KDM4E 1706/4885NPSR1 3001/4885
US-20060128669-A1 Heterocyclic compounds having inhibitory activity against hiv integrase CYP3A7, CDK7, CYP2A7 MAPT 4308/4885KDM4E 1722/4885NPSR1 3002/4885

“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.