SCHEMBL2706287

SCHEMBL2706287

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.51
▸ APP P05067 1/20 0.51
▸ LDHA P00338 1/20 0.50
▸ PTPN1 P18031 1/20 0.49
▸ ATM Q13315 1/20 0.48
▸ RAB9A P51151 6/20 0.48
▸ NPC1 O15118 5/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ RXFP1 Q9HBX9 2/20 0.48
▸ EPHX2 P34913 1/20 0.48
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ TYR P14679 1/20 0.48
▸ CA7 P43166 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ CA14 Q9ULX7 1/20 0.48
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ KDM4E B2RXH2 3/20 0.47

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
SCHEMBL2706281 1.00 TTR (0.51) TTRAPPLDHAPTPN1ATM
SCHEMBL30634292 0.87 TTR (0.56) TTRAPPLDHARAB9ANPC1
SCHEMBL31428653 0.85 ESR1 (0.54) TTRAPPLDHAPTPN1ATM
SCHEMBL26634012 0.85 ESR1 (0.54) TTRAPPLDHAPTPN1ATM
SCHEMBL2706803 0.81 CYP4F2 (0.47) LDHARAB9ANPC1KMT2AMEN1
SCHEMBL2706801 0.81 CYP4F2 (0.47) LDHARAB9ANPC1KMT2AMEN1
SCHEMBL8337665 0.76 TTR (0.56) TTRAPPRAB9ANPC1CA12
SCHEMBL4533808 0.75 SMN1; SMN2 (0.56) LDHARAB9ANPC1KMT2AMEN1
SCHEMBL6268298 0.74 SMN1; SMN2 (0.49) APPLDHARAB9ANPC1KMT2A
SCHEMBL7673025 0.74 KDM4E (0.62) TTRAPPPTPN1RAB9ANPC1

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 10 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-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-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
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 (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-20120252830-A1 Substituted Aminobutyric Derivatives as Neprilysin Inhibitors MME, GABRB1, GABRE TTR 1804/4885APP 207/4885LDHA 3027/4885
US-20150174089-A1 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS MME, GABRB1, GABRE TTR 1804/4885APP 207/4885LDHA 3027/4885
US-20100305145-A1 Substituted Aminobutyric Derivatives as Neprilysin Inhibitors MME, GABRB1, GABRE TTR 1804/4885APP 207/4885LDHA 3027/4885

“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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