SCHEMBL5543158

SCHEMBL5543158

COCCN(C)C(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(Cc2ccc(S(C)(=O)=O)cc2)c1=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 2/20 0.37
FEN1 P39748 2/20 0.37
CNR2 P34972 7/20 0.36
TBXA2R P21731 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
PTGDR2 Q9Y5Y4 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
USP1 O94782 1/20 0.33
PTGS2 P35354 1/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL5546797 0.86 EGLN1 (0.42) ERCC5FEN1CNR2TBXA2REGLN1
SCHEMBL5545321 0.83 MAPT (0.44) ERCC5FEN1TBXA2RPTGDR2KDM4E
SCHEMBL5540664 0.81 EGLN1 (0.44) ERCC5FEN1CNR2TBXA2REGLN1
SCHEMBL5545394 0.81 CNR2 (0.43) ERCC5FEN1CNR2TBXA2REGLN1
SCHEMBL5540989 0.80 L3MBTL1 (0.35) ERCC5CNR2
SCHEMBL5546666 0.79 L3MBTL1 (0.45) CNR2EGLN1KDM4EALDH1A1CYP2C9
SCHEMBL5546934 0.79 EGLN1 (0.49) ERCC5FEN1EGLN1KDM4EHSD17B10
SCHEMBL6062479 0.78 FEN1 (0.51) ERCC5FEN1EGLN1PTGDR2
SCHEMBL5546823 0.78 KDM4E (0.49) CNR2EGLN1KDM4EALDH1A1CNR1
SCHEMBL5540759 0.78 KDM4E (0.37) KDM4EALDH1A1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150225399-A1 HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2015-08-13 US disclosed
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 US disclosed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP disclosed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 US 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 (2 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-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS BCDIN3D, DUT, SAMHD1 ERCC5 2132/4885FEN1 821/4885CNR2 3954/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 ERCC5 1182/4885FEN1 436/4885CNR2 4810/4885

“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.