SCHEMBL3436882

SCHEMBL3436882

Cc1cc2c(cc1F)C(=O)CC2=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.36
DAO P14920 1/20 0.34
DAPK3 O43293 1/20 0.34
NTRK1 P04629 1/20 0.34
PIM1 P11309 1/20 0.34
FLT3 P36888 1/20 0.34
GSK3B P49841 1/20 0.34
ROCK1 Q13464 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
PTGS2 P35354 2/20 0.33
PTGS1 P23219 1/20 0.32
IDO1 P14902 1/20 0.30
GRM5 P41594 1/20 0.30

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
SCHEMBL30559769 0.83 GRM5 (0.31) GRM5
SCHEMBL16357218 0.83 GRM5 (0.31) GRM5
SCHEMBL20907232 0.83 HTT (0.38)
SCHEMBL23172302 0.74 GRM5 (0.43) GPR3DAODAPK3NTRK1PIM1
SCHEMBL13104456 0.73 GPR3 (0.40) GPR3DAOPTGS2
SCHEMBL20881064 0.73
SCHEMBL26732897 0.73 KDM1A (0.34) IDO1
SCHEMBL12093250 0.72 HSD17B1 (0.44) PTGS2PTGS1GRM5
SCHEMBL22380074 0.71 GPR3 (0.38) GPR3DAPK3NTRK1PIM1FLT3
SCHEMBL5987599 0.71 DAO (0.44) GPR3DAO

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807670-B2 Inhibitors of papilloma virus BOEHRINGER INGELHEIM CANADA LTD. (CA) 2010-10-05 US disclosed
US-20100041649-A1 INHIBITORS OF PAPILLOMA VIRUS YOAKIM CHRISTIANE 2010-02-18 US disclosed
US-7528167-B2 Inhibitors of papilloma virus BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-05-05 US disclosed
EP-1345943-B1 INHIBITORS OF PAPILLOMA VIRUS BOEHRINGER INGELHEIM CA LTD (CA) 2007-03-21 EP disclosed
US-20060235010-A1 DNA replication that interfere with the E1-E2-DNA complex during initiation of DNA replication; 1-(hydroxy, oxo, or epoxy)-3-oxo-3'-benzaminocarbonyl-4'-(carboxy or carboxylate)-1,2,3-trihydroindene-2-spiro-2'-tetrahydrofuran derivatives BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2006-10-19 US disclosed
US-7119099-B2 Inhibitors of papilloma virus BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2006-10-10 US disclosed
US-20050009855-A1 1-(hydroxy, oxo, or epoxy)-3-oxo-3'-benzaminocarbonyl-4'-(carboxy or carboxylate)-1,2,3-trihydroindene-2-spiro-2'-tetrahydrofuran derivatives; these compounds interfere with the E1-E2-DNA complex during initiation of DNA replication BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2005-01-13 US disclosed
US-6759409-B2 PREVENT VIRUS REPRODUCTION BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-07-06 US disclosed
EP-1345943-A2 INHIBITORS OF PAPILLOMA VIRUS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-09-24 EP disclosed
US-20030064985-A1 Inhibitors of papilloma virus BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-04-03 US disclosed
WO-2002050082-A2 INHIBITORS OF PAPILLOMA VIRUS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-06-27 WO 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 (4 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-20030064985-A1 Inhibitors of papilloma virus REV1, CDKN1A, PCNA GPR3 2937/4885DAO 2953/4885DAPK3 1154/4885
US-20060235010-A1 DNA replication that interfere with the E1-E2-DNA complex during initiation of DNA replication; 1-(hydroxy, oxo, or epoxy)-3-oxo-3'-benzaminocarbonyl-4'-(carboxy or carboxylate)-1,2,3-trihydroindene-2-spiro-2'-tetrahydrofuran derivatives CCNE2, PCNA, POLL GPR3 1957/4885DAO 2337/4885DAPK3 2761/4885
US-20100041649-A1 INHIBITORS OF PAPILLOMA VIRUS REV1, CDKN1A, RB1 GPR3 2911/4885DAO 3454/4885DAPK3 946/4885
US-20050009855-A1 1-(hydroxy, oxo, or epoxy)-3-oxo-3'-benzaminocarbonyl-4'-(carboxy or carboxylate)-1,2,3-trihydroindene-2-spiro-2'-tetrahydrofuran derivatives; these compounds interfere with the E1-E2-DNA complex during initiation of DNA replication CCNE2, CCNE1, PCNA GPR3 1562/4885DAO 1438/4885DAPK3 2666/4885

“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.