SCHEMBL15069797

SCHEMBL15069797

COC(=O)c1nc(C(C)(C)NC(=O)c2nnc(C)o2)[nH]c(=O)c1O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 1/20 0.41
CCR1 P32246 1/20 0.41
KCNQ1 P51787 1/20 0.41
RNASEH1 O60930 1/20 0.41
ERCC1 P07992 2/20 0.40
FEN1 P39748 2/20 0.40
ERCC4 Q92889 2/20 0.40

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
SCHEMBL15085010 0.90 KCNE1 (0.42) KCNE1CCR1KCNQ1RNASEH1
SCHEMBL22400287 0.90 KCNE1 (0.42) KCNE1CCR1KCNQ1RNASEH1ERCC1
SCHEMBL16445001 0.89 RNASEH1 (0.38) KCNE1CCR1KCNQ1RNASEH1ERCC1
SCHEMBL17749053 0.80 ERCC1 (0.48) RNASEH1ERCC1FEN1ERCC4
SCHEMBL15085016 0.79 KCNE1 (0.69) KCNE1CCR1KCNQ1ERCC1FEN1
SCHEMBL9979025 0.77 KCNE1 (0.51) KCNE1CCR1KCNQ1ERCC1FEN1
SCHEMBL16453964 0.77 KCNE1 (0.65) KCNE1CCR1KCNQ1
SCHEMBL13041232 0.77 ERCC1 (0.50) RNASEH1ERCC1FEN1ERCC4
SCHEMBL12432516 0.76 ERCC1 (0.49) RNASEH1ERCC1FEN1ERCC4
SCHEMBL15728533 0.70 KCNE1 (0.40) KCNE1CCR1KCNQ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2804607-B1 SYNTHESIS OF RALTEGRAVIR EMCURE PHARMACEUTICALS LTD (IN) 2020-09-16 EP claimed
US-9403809-B2 Synthesis of raltegravir EMCURE PHARMACEUTICALS LIMITED (IN) 2016-08-02 US claimed
US-20150045554-A1 SYNTHESIS OF RALTEGRAVIR EMCURE PHARMACEUTICALS LIMITED (IN) 2015-02-12 US claimed
EP-2804607-B1 SYNTHESIS OF RALTEGRAVIR EMCURE PHARMACEUTICALS LTD (IN) 2020-09-16 EP disclosed
EP-2804607-B1 SYNTHESIS OF RALTEGRAVIR EMCURE PHARMACEUTICALS LTD (IN) 2020-09-16 EP disclosed
US-20160311810-A1 SYNTHESIS OF RALTEGRAVIR EMCURE PHARMACEUTICALS LTD (IN) 2016-10-27 US disclosed
US-20160311810-A1 SYNTHESIS OF RALTEGRAVIR EMCURE PHARMACEUTICALS LTD (IN) 2016-10-27 US disclosed
US-9475799-B1 Synthesis of Raltegravir EMCURE PHARMACEUTICALS LIMITED (IN) 2016-10-25 US disclosed
US-9475799-B1 Synthesis of Raltegravir EMCURE PHARMACEUTICALS LIMITED (IN) 2016-10-25 US disclosed
US-9403809-B2 Synthesis of raltegravir EMCURE PHARMACEUTICALS LIMITED (IN) 2016-08-02 US disclosed
US-9403809-B2 Synthesis of raltegravir EMCURE PHARMACEUTICALS LIMITED (IN) 2016-08-02 US disclosed
US-20150045554-A1 SYNTHESIS OF RALTEGRAVIR EMCURE PHARMACEUTICALS LIMITED (IN) 2015-02-12 US disclosed
US-20150045554-A1 SYNTHESIS OF RALTEGRAVIR EMCURE PHARMACEUTICALS LIMITED (IN) 2015-02-12 US disclosed
EP-2804607-A2 SYNTHESIS OF RALTEGRAVIR Emcure Pharmaceuticals Limited (IN) 2014-11-26 EP disclosed
WO-2013098854-A2 SYNTHESIS OF RALTEGRAVIR EMCURE PHARMACEUTICALS LIMITED (IN) 2013-07-04 WO disclosed
WO-2013098854-A2 SYNTHESIS OF RALTEGRAVIR EMCURE PHARMACEUTICALS LIMITED (IN) 2013-07-04 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 (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-20160311810-A1 SYNTHESIS OF RALTEGRAVIR CYP3A4, CYP3A5, IMPDH1 KCNE1 3488/4885CCR1 2197/4885KCNQ1 3105/4885
US-20150045554-A1 SYNTHESIS OF RALTEGRAVIR CYP3A4, CYP3A5, IMPDH1 KCNE1 3488/4885CCR1 2197/4885KCNQ1 3105/4885

“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.