SCHEMBL3519079

SCHEMBL3519079

CCOC(=O)c1c(OS(=O)(=O)C(F)(F)F)c2cc(-c3ccccc3OC)cnc2n(OCc2ccccc2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.39
ALOX5 P09917 3/20 0.38
PTGES O14684 1/20 0.38
TDP2 O95551 1/20 0.36
NSD2 O96028 1/20 0.36
PLCG1 P19174 1/20 0.36
PAX8 Q06710 1/20 0.36
MAPT P10636 1/20 0.35
FFAR1 O14842 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 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
SCHEMBL3519513 0.97 ALOX5 (0.38) F2ALOX5PTGESTDP2NSD2
SCHEMBL3517735 0.86 ALOX5 (0.45) ALOX5PTGESTDP2NSD2PLCG1
SCHEMBL16275011 0.83 KDM4E (0.39) F2MAPTALDH1A1HPGD
SCHEMBL3517138 0.82 MEN1 (0.42) F2MAPTALDH1A1HPGD
SCHEMBL16274613 0.81 KDM4E (0.39) F2MAPTALDH1A1HPGD
SCHEMBL14306396 0.76 ALOX5 (0.46) ALOX5PTGESALDH1A1
SCHEMBL16236700 0.76 MAPK8 (0.38) MAPTALDH1A1
SCHEMBL3517692 0.75 KDM4E (0.47) PTGESMAPTALDH1A1HPGD
SCHEMBL3516004 0.73 ALOX5 (0.48) ALOX5PTGESALDH1A1
SCHEMBL3518229 0.72 KDM4E (0.44) MAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK SHARP & DOHME CORP. 2010-03-04 US disclosed
EP-2044068-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS Merck & Co., Inc. (US) 2009-04-08 EP disclosed
WO-2008010964-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK & CO., INC. (US) 2008-01-24 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 (1 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-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS RNASEH1, RNASE1, RNASEL F2 3148/4885ALOX5 3513/4885PTGES 4180/4885

“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.