SCHEMBL2706803

SCHEMBL2706803

COC(=O)CC=Cc1ccc2nc(C)sc2c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 2/20 0.47
▸ CYP4A11 Q02928 2/20 0.47
▸ LDHA P00338 2/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ RAB9A P51151 6/20 0.46
▸ NPC1 O15118 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ RXFP1 Q9HBX9 2/20 0.46
▸ LMNA P02545 4/20 0.45
▸ MAPT P10636 3/20 0.45
▸ GAA P10253 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL2706801 1.00 CYP4F2 (0.47) CYP4F2CYP4A11LDHAALDH1A1SMN1; SMN2
SCHEMBL2706287 0.81 TTR (0.51) LDHAALDH1A1SMN1; SMN2POLBRAB9A
SCHEMBL2706281 0.81 TTR (0.51) LDHAALDH1A1SMN1; SMN2POLBRAB9A
SCHEMBL30634292 0.76 TTR (0.56) LDHAALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL26634012 0.76 ESR1 (0.54) LDHAALDH1A1SMN1; SMN2POLBRAB9A
SCHEMBL31428653 0.76 ESR1 (0.54) LDHAALDH1A1SMN1; SMN2POLBRAB9A
SCHEMBL2705872 0.73 LMNA (0.51) LDHAALDH1A1SMN1; SMN2POLBRAB9A
SCHEMBL4533808 0.72 SMN1; SMN2 (0.56) LDHAALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL13707310 0.71 CYP4F2 (0.51) CYP4F2CYP4A11ALDH1A1POLBKMT2A
SCHEMBL2705946 0.71 MME (0.52) LDHAALDH1A1SMN1; SMN2POLBRAB9A

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
US-9603819-B2 Substituted aminobutyric derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2017-03-28 — — US disclosed
EP-3048100-A1 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS Novartis AG (CH) 2016-07-27 — — EP disclosed
EP-2640375-B1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2016-05-18 — — EP disclosed
EP-2435402-B1 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2016-04-13 — — EP disclosed
US-20150174089-A1 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2015-06-25 — — US disclosed
US-9006249-B2 Substituted aminobutyric derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2015-04-14 — — US disclosed
US-8993631-B2 Method of treating contrast-induced nephropathy NOVARTIS AG (CH) 2015-03-31 — — US disclosed
US-20140336194-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2014-11-13 — — US disclosed
EP-2640375-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY Novartis AG (CH) 2013-09-25 — — EP disclosed
US-20120252830-A1 Substituted Aminobutyric Derivatives as Neprilysin Inhibitors NOVARTIS AG (CH) 2012-10-04 — — US disclosed
US-8263629-B2 Substituted aminobutyric derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2012-09-11 — — US disclosed
WO-2012065958-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2012-05-24 — — WO disclosed
US-20120122844-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2012-05-17 — — US disclosed
EP-2435402-A2 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS Novartis AG (CH) 2012-04-04 — — EP disclosed
WO-2010136474-A2 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2010-12-02 — — WO disclosed
US-20100305145-A1 Substituted Aminobutyric Derivatives as Neprilysin Inhibitors NOVARTIS AG (CH) 2010-12-02 — — 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 (5 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-20120252830-A1 Substituted Aminobutyric Derivatives as Neprilysin Inhibitors MME, GABRB1, GABRE CYP4F2 3741/4885CYP4A11 1247/4885LDHA 3027/4885
US-20150174089-A1 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS MME, GABRB1, GABRE CYP4F2 3741/4885CYP4A11 1247/4885LDHA 3027/4885
US-20100305145-A1 Substituted Aminobutyric Derivatives as Neprilysin Inhibitors MME, GABRB1, GABRE CYP4F2 3741/4885CYP4A11 1247/4885LDHA 3027/4885
US-20140336194-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY REN, SERPINB1, MME CYP4F2 3305/4885CYP4A11 2667/4885LDHA 4736/4885
US-20120122844-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY REN, SERPINB1, MME CYP4F2 3305/4885CYP4A11 2667/4885LDHA 4736/4885

“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.

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