SCHEMBL2875911

SCHEMBL2875911

COC(=O)/C(=C\c1ccc(-c2ccccc2)cc1)CC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.42
TP53 P04637 1/20 0.42
HDAC2 Q92769 4/20 0.40
HDAC3 O15379 3/20 0.40
HDAC4 P56524 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC7 Q8WUI4 3/20 0.40
HDAC10 Q969S8 3/20 0.40
HDAC11 Q96DB2 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC9 Q9UKV0 3/20 0.40
HDAC5 Q9UQL6 3/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
MAPT P10636 2/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL1914722 0.92 RECQL (0.46) RECQLMAPTMEN1KMT2A
SCHEMBL1914726 0.92 RECQL (0.46) RECQLMAPTMEN1KMT2A
SCHEMBL27725356 0.84 RECQL (0.58) RECQLTP53HDAC2HDAC3HDAC4
SCHEMBL1915710 0.80 CYP3A4 (0.50) RECQLMTNR1AMTNR1BKDM4EMEN1
SCHEMBL1915706 0.80 CYP3A4 (0.50) RECQLMTNR1AMTNR1BKDM4EMEN1
SCHEMBL1915707 0.80 CYP3A4 (0.50) RECQLMTNR1AMTNR1BKDM4EMEN1
SCHEMBL7376121 0.78 RECQL (0.44) RECQLMAPTPTGS2MEN1ALDH1A1
SCHEMBL7377043 0.78 RECQL (0.53) RECQLMAPTMEN1KMT2A
SCHEMBL7377051 0.78 RECQL (0.53) RECQLMAPTMEN1KMT2A
SCHEMBL7431926 0.78 RECQL (0.53) RECQLMAPTMEN1KMT2A

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
EP-2594557-B1 Substituted aminopropionic derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2016-08-10 EP disclosed
EP-2594556-B1 Substituted aminopropionic derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2016-08-10 EP disclosed
US-20140296240-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS COPPOLA GARY MARK (US) 2014-10-02 US disclosed
US-8822534-B2 Substituted aminopropionic derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2014-09-02 US disclosed
EP-2435409-B1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2014-08-13 EP disclosed
EP-2594557-A1 Substituted aminopropionic derivatives as neprilysin inhibitors Novartis AG (CH) 2013-05-22 EP disclosed
EP-2594556-A1 Substituted aminopropionic derivatives as neprilysin inhibitors Novartis AG (CH) 2013-05-22 EP 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-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 (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-20100305131-A1 Substituted Aminopropionic Derivatives as Neprilysin inhibitors MME, AGTR1, REN RECQL 3177/4885TP53 4286/4885HDAC2 1014/4885
US-20140296240-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS MME, AGTR1, REN RECQL 3177/4885TP53 4286/4885HDAC2 1014/4885
US-20130096127-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS MME, AGTR1, REN RECQL 3177/4885TP53 4286/4885HDAC2 1014/4885

“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.