Sugi Predict

Sugi Predict / Compounds / SCHEMBL10197339

SCHEMBL10197339

SCHEMBL10197339

CC(C)(C)c1cnc(O)c(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.36
▸ GABRA1 P14867 1/20 0.35
▸ GABRB2 P47870 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ POLQ O75417 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ AGBL2 Q5U5Z8 1/20 0.33
▸ ASPH Q12797 1/20 0.33
▸ ALOX15 P16050 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ATP2A2 P16615 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ATP2A3 Q93084 1/20 0.32
▸ CES2 O00748 1/20 0.32

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
SCHEMBL7749594 0.86 HSP90AA1 (0.42) HSP90AA1GABRA1GABRB2POLBPKM
SCHEMBL27229540 0.86 ALDH1A1 (0.42) POLBPKMPOLQALDH1A1KDM4E
SCHEMBL30966491 0.86 ALDH1A1 (0.42) POLBPKMPOLQALDH1A1KDM4E
SCHEMBL19628512 0.78 POLB (0.33) HSP90AA1POLBPKMPOLQAGBL2
SCHEMBL16852159 0.78 AGBL2 (0.34) HSP90AA1POLBPKMPOLQAGBL2
SCHEMBL26151630 0.78 ALOX5AP (0.40) HSP90AA1GABRA1GABRB2PKMALDH1A1
SCHEMBL10201441 0.77 MAP3K12 (0.42) HSP90AA1
SCHEMBL19370437 0.77 PIK3CD (0.46) POLBPKMPOLQALDH1A1KDM4E
SCHEMBL13245781 0.76 PDK2 (0.36) POLBALDH1A1KDM4EAGBL2ASPH
SCHEMBL24656388 0.74 PIK3R1 (0.41) HPGDCYP1A2SMN1; SMN2LMNAKMT2A

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 23 patents — showing the first 20. 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
US-9603819-B2 Substituted aminobutyric derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2017-03-28 — — US disclosed
US-20150174089-A1 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2015-06-25 — — US 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-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-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
US-20140336194-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2014-11-13 — — US disclosed
US-8822534-B2 Substituted aminopropionic derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2014-09-02 — — US disclosed
US-20130096127-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2013-04-18 — — US disclosed
US-20130096127-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2013-04-18 — — US disclosed
US-8394853-B2 Substituted aminopropionic derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2013-03-12 — — 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
US-20120122844-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2012-05-17 — — US disclosed
US-20120122844-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2012-05-17 — — US disclosed
US-20100305145-A1 Substituted Aminobutyric Derivatives as Neprilysin Inhibitors NOVARTIS AG (CH) 2010-12-02 — — US disclosed
US-20100305131-A1 Substituted Aminopropionic 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 (7 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 HSP90AA1 4338/4885GABRA1 5/4885GABRB2 10/4885
US-20150174089-A1 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS MME, GABRB1, GABRE HSP90AA1 4338/4885GABRA1 5/4885GABRB2 10/4885
US-20100305131-A1 Substituted Aminopropionic Derivatives as Neprilysin inhibitors MME, AGTR1, REN HSP90AA1 4498/4885GABRA1 1128/4885GABRB2 1792/4885
US-20100305145-A1 Substituted Aminobutyric Derivatives as Neprilysin Inhibitors MME, GABRB1, GABRE HSP90AA1 4338/4885GABRA1 5/4885GABRB2 10/4885
US-20140336194-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY REN, SERPINB1, MME HSP90AA1 4493/4885GABRA1 4388/4885GABRB2 4573/4885
US-20120122844-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY REN, SERPINB1, MME HSP90AA1 4493/4885GABRA1 4388/4885GABRB2 4573/4885
US-20130096127-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS MME, AGTR1, REN HSP90AA1 4498/4885GABRA1 1128/4885GABRB2 1792/4885

“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.