SCHEMBL2552297

SCHEMBL2552297

CC(C)(C)OC(=O)NC(Cc1cccc(OCc2ccccc2)c1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.64
ACE P12821 2/20 0.62
MME P08473 1/20 0.62
CPA1 P15085 1/20 0.62
ACE2 Q9BYF1 1/20 0.62
GPR132 Q9UNW8 2/20 0.61
PPARA Q07869 3/20 0.57
CTSS P25774 5/20 0.55
CTSK P43235 4/20 0.55
CTSB P07858 3/20 0.55
GPR34 Q9UPC5 2/20 0.54
BCL2 P10415 1/20 0.54
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
YAP1 P46937 1/20 0.53
CTSL P07711 1/20 0.53
PPARG P37231 2/20 0.53

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
SCHEMBL4650144 1.00 PTPN1 (0.64) PTPN1ACEMMECPA1ACE2
SCHEMBL31407708 1.00 PTPN1 (0.64) PTPN1ACEMMECPA1ACE2
SCHEMBL7709696 0.91 PTPN1 (0.55) PTPN1ACEMMECPA1ACE2
SCHEMBL20905733 0.91 PTPN1 (0.55) PTPN1ACEMMECPA1ACE2
SCHEMBL2353808 0.91 KLK5 (0.59) PTPN1ACEMMECPA1ACE2
SCHEMBL2353801 0.91 KLK5 (0.59) PTPN1ACEMMECPA1ACE2
Dalfampridine SCHEMBL7549358 0.90 GPR132 (0.59) PTPN1ACEMMECPA1ACE2
SCHEMBL6775535 0.90 ACE (0.60) PTPN1ACEMMECPA1ACE2
SCHEMBL6775303 0.90 ACE (0.60) PTPN1ACEMMECPA1ACE2
SCHEMBL6775305 0.90 ACE (0.60) PTPN1ACEMMECPA1ACE2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029567-B2 Hypoglycemic compounds CADILA PHARMACEUTICALS LIMITED (IN) 2015-05-12 US disclosed
EP-2769978-A1 saxagliptin derivatives Cadila Pharmaceuticals Limited (IN) 2014-08-27 EP disclosed
WO-2014124757-A1 PYRROLOTRIAZINE DERIVATIVES AS PI3K INHIBITORS ALMIRALL, S.A. (ES) 2014-08-21 WO disclosed
US-20130150578-A1 NOVEL HYPOGLYCEMIC COMPOUNDS CADILA PHARMACEUTICALS LIMITED (IN) 2013-06-13 US disclosed
EP-2555617-A1 NOVEL HYPOGLYCEMIC COMPOUNDS Cadila Pharmaceuticals Limited (IN) 2013-02-13 EP disclosed
EP-1893634-B1 PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-12-21 EP disclosed
US-8048881-B2 Uding 4-aminocarbonyl-pyrimidine; vascular disorders; cardiovascular disorders; thrombosis; brain disorders; vision defects ACTELION PHARMACEUTICALS LTD. (CH) 2011-11-01 US disclosed
WO-2011125011-A1 NOVEL HYPOGLYCEMIC COMPOUNDS CADILA PHARMACEUTICALS LIMITED (IN) 2011-10-13 WO disclosed
EP-1968954-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS Novartis AG (CH) 2008-09-17 EP disclosed
US-20080194576-A1 Pyrimidine Derivatives and Their Use as P2Y12 Receptor Antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2008-08-14 US disclosed
EP-1893634-A2 PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2008-03-05 EP disclosed
WO-2007077004-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2007-07-12 WO disclosed
WO-2006114774-A2 PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-11-02 WO disclosed
US-4873253-A Phenylalanine derivative and proteinase inhibitor Okamoto, Shosuke (JP) 1989-10-10 US disclosed
EP-0284632-A1 Phenylalanine derivative and proteinase inhibitor Okamoto, Shosuke (JP) 1988-10-05 EP 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-20080194576-A1 Pyrimidine Derivatives and Their Use as P2Y12 Receptor Antagonists P2RY12, P2RY13, P2RY4 PTPN1 913/4885ACE 1066/4885MME 3334/4885
US-20130150578-A1 NOVEL HYPOGLYCEMIC COMPOUNDS GLP1R, GPR119, IAPP PTPN1 1206/4885ACE 689/4885MME 2085/4885

“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.