SCHEMBL5020090

SCHEMBL5020090

COCCCOc1cc(C[C@@H](C[C@H](NC(=O)OCc2ccccc2)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.72

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
SCHEMBL14641974 0.95 REN (0.65) REN
SCHEMBL14476810 0.92 REN (0.76) REN
SCHEMBL15216928 0.92 REN (0.64) REN
SCHEMBL16371079 0.90 REN (0.81) REN
SCHEMBL4542653 0.90 REN (0.81) REN
SCHEMBL4542652 0.90 REN (0.81) REN
SCHEMBL6854918 0.90 REN (0.77) REN
SCHEMBL13093701 0.90 REN (0.77) REN
SCHEMBL842335 0.90 REN (0.77) REN
SCHEMBL842334 0.90 REN (0.77) REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2736875-B1 CHEMICAL PROCESS FOR OPENING RING COMPOUNDS CHEMO IBÉRICA S A (ES) 2015-07-22 EP disclosed
US-9067868-B2 Chemical process for opening ring compounds CHEMO IBERICA, S.A. (ES) 2015-06-30 US disclosed
US-8946224-B2 Substituted [1,2,4]triazolo[4,3-A]pyrazines for medicaments and pharmaceutical compositions REDX PHARMA LIMITED (GB) 2015-02-03 US disclosed
US-8946224-B2 Substituted [1,2,4]triazolo[4,3-A]pyrazines for medicaments and pharmaceutical compositions REDX PHARMA LIMITED (GB) 2015-02-03 US disclosed
US-20140213821-A1 CHEMICAL PROCESS FOR OPENING RING COMPOUNDS CHEMO IBERICA, S. A. (ES) 2014-07-31 US disclosed
US-8664440-B2 Method for preparing aliskiren and its intermediates thereof ZHEJIANG TIANYU PHARMACEUTICAL CO., LTD (CN) 2014-03-04 US disclosed
US-20130225841-A1 METHOD FOR PREPARING ALISKIREN AND ITS INTERMEDIATES THEREOF ZHEJIANG TIANYU PHARMACEUTICAL CO., LTD. (CN) 2013-08-29 US disclosed
US-20130225594-A1 DRUG DERIVATIVES REDX PHARMA PLC (GB) 2013-08-29 US disclosed
US-20130225594-A1 DRUG DERIVATIVES REDX PHARMA PLC (GB) 2013-08-29 US disclosed
WO-2013014191-A1 CHEMICAL PROCESS FOR OPENING RING COMPOUNDS CHEMO IBERICA, S. A. (ES) 2013-01-31 WO disclosed
EP-2551260-A1 Chemical process for opening ring compounds Chemo Ibérica, S.A. (ES) 2013-01-30 EP disclosed
WO-2012063085-A2 DRUG DERIVATIVES REDX PHARMA LIMITED (GB) 2012-05-18 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 (3 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-20130225841-A1 METHOD FOR PREPARING ALISKIREN AND ITS INTERMEDIATES THEREOF FLI1, MLX, LMTK2 REN 166/4885
US-20130225594-A1 DRUG DERIVATIVES SQOR, NQO1, CYP2D6 REN 469/4885
US-20140213821-A1 CHEMICAL PROCESS FOR OPENING RING COMPOUNDS LSS, CILK1, DCXR REN 2429/4885

“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.