SCHEMBL15085016

SCHEMBL15085016

Cc1nnc(C(=O)NC(C)(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)[nH]2)o1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 1/20 0.69
CCR1 P32246 1/20 0.69
KCNQ1 P51787 1/20 0.69
ERCC1 P07992 1/20 0.48
FEN1 P39748 1/20 0.48
ERCC4 Q92889 1/20 0.48
THRB P10828 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL21045731 0.89 KCNE1 (0.59) KCNE1CCR1KCNQ1ERCC1FEN1
SCHEMBL9979025 0.85 KCNE1 (0.51) KCNE1CCR1KCNQ1ERCC1FEN1
SCHEMBL13041261 0.82 ERCC1 (0.57) KCNE1CCR1KCNQ1ERCC1FEN1
Raltegravir SCHEMBL51817 0.82 KCNE1 (1.00) KCNE1CCR1KCNQ1ERCC1FEN1
SCHEMBL13218340 0.82 ERCC1 (0.52) KCNE1CCR1KCNQ1ERCC1FEN1
Raltegravir SCHEMBL2562078 0.81 KCNE1 (0.98) KCNE1CCR1KCNQ1ERCC1FEN1
Raltegravir SCHEMBL29420846 0.81 KCNE1 (0.98) KCNE1CCR1KCNQ1ERCC1FEN1
Raltegravir SCHEMBL1191960 0.81 KCNE1 (0.98) KCNE1CCR1KCNQ1ERCC1FEN1
Raltegravir SCHEMBL2555854 0.81 KCNE1 (0.98) KCNE1CCR1KCNQ1ERCC1FEN1
Raltegravir SCHEMBL2565413 0.81 KCNE1 (0.98) KCNE1CCR1KCNQ1ERCC1FEN1

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-9403809-B2 Synthesis of raltegravir EMCURE PHARMACEUTICALS LIMITED (IN) 2016-08-02 US claimed
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-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-20150045554-A1 SYNTHESIS OF RALTEGRAVIR EMCURE PHARMACEUTICALS LIMITED (IN) 2015-02-12 US 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.