SCHEMBL2391352

SCHEMBL2391352

CCOC(=O)Cc1cc(OC)c(OC(C)C)cc1/C=N/[S@@+]([O-])C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.36
ALDH1A1 P00352 7/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 2/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 1/20 0.35
GAA P10253 2/20 0.33
PRNP P04156 1/20 0.33
ALOX12 P18054 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EGFR P00533 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MTNR1A P48039 4/20 0.32
MTNR1B P49286 4/20 0.32
POLB P06746 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
SCHEMBL2391348 1.00 DPP4 (0.36) DPP4ALDH1A1MAPTKDM4ELMNA
SCHEMBL2391358 1.00 DPP4 (0.36) DPP4ALDH1A1MAPTKDM4ELMNA
SCHEMBL30289156 0.80 ALDH1A1 (0.44) DPP4ALDH1A1MAPTKDM4ELMNA
SCHEMBL2390691 0.80 ALDH1A1 (0.44) DPP4ALDH1A1MAPTKDM4ELMNA
SCHEMBL8282635 0.76 CYP3A4 (0.51) DPP4ALDH1A1MAPTKDM4ECYP3A4
SCHEMBL4235697 0.69 ALDH1A1 (0.44) ALDH1A1MAPTKDM4ELMNACYP3A4
SCHEMBL4239996 0.69 ALDH1A1 (0.44) ALDH1A1MAPTKDM4ELMNACYP3A4
SCHEMBL3670384 0.69 ALDH1A1 (0.44) ALDH1A1MAPTKDM4ELMNACYP3A4
SCHEMBL3670385 0.69 ALDH1A1 (0.44) ALDH1A1MAPTKDM4ELMNACYP3A4
SCHEMBL4235695 0.69 ALDH1A1 (0.44) ALDH1A1MAPTKDM4ELMNACYP3A4

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073898-B2 Crystalline form of an inhibitor of MDM2/4 and p53 interaction NOVARTIS AG (CH) 2015-07-07 US disclosed
US-9073898-B2 Crystalline form of an inhibitor of MDM2/4 and p53 interaction NOVARTIS AG (CH) 2015-07-07 US disclosed
US-9073898-B2 Crystalline form of an inhibitor of MDM2/4 and p53 interaction NOVARTIS AG (CH) 2015-07-07 US disclosed
US-9051279-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2015-06-09 US disclosed
US-9051279-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2015-06-09 US disclosed
US-9051279-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2015-06-09 US disclosed
EP-2721008-B1 HYDROXY SUBSTITUTED ISOQUINOLINONE DERIVATIVES AS P53 (MDM2 OR MDM4) INHIBITORS NOVARTIS AG (CH) 2015-04-29 EP disclosed
US-8969351-B2 Crystalline form of an inhibitor of MDM2/4 and p53 interaction NOVARTIS AG (CH) 2015-03-03 US disclosed
US-8969351-B2 Crystalline form of an inhibitor of MDM2/4 and p53 interaction NOVARTIS AG (CH) 2015-03-03 US disclosed
US-8969351-B2 Crystalline form of an inhibitor of MDM2/4 and p53 interaction NOVARTIS AG (CH) 2015-03-03 US disclosed
US-8440693-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2013-05-14 US disclosed
US-8440693-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2013-05-14 US disclosed
EP-2516009-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES Novartis AG (CH) 2012-10-31 EP disclosed
WO-2012066095-A1 CRYSTALLINE FORM OF AN INHIBITOR OF MDM2/4 AND P53 INTERACTION NOVARTIS AG (CH) 2012-05-24 WO disclosed
US-20120129871-A1 Crystalline form of an inhibitor of MDM2/4 and p53 interaction NOVARTIS AG (CH) 2012-05-24 US disclosed
US-20120129871-A1 Crystalline form of an inhibitor of MDM2/4 and p53 interaction NOVARTIS AG (CH) 2012-05-24 US disclosed
US-20120129871-A1 Crystalline form of an inhibitor of MDM2/4 and p53 interaction NOVARTIS AG (CH) 2012-05-24 US disclosed
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones NOVARTIS AG (CH) 2011-09-22 US disclosed
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones NOVARTIS AG (CH) 2011-09-22 US disclosed
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones NOVARTIS AG (CH) 2011-09-22 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 (2 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-20110230457-A1 Substituted Isoquinolinones and Quinazolinones MDM4, MDM2, TP53 DPP4 2499/4885ALDH1A1 3726/4885MAPT 957/4885
US-20120129871-A1 Crystalline form of an inhibitor of MDM2/4 and p53 interaction MDM4, TP53, TP53BP1 DPP4 349/4885ALDH1A1 4048/4885MAPT 144/4885

“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.