SCHEMBL9105503

SCHEMBL9105503

O=C(NC1(C(=O)O)CC1)c1cn[nH]c(=O)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.36
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
GPR132 Q9UNW8 3/20 0.35
EGLN1 Q9GZT9 1/20 0.33
NPC1 O15118 1/20 0.33
JAK2 O60674 1/20 0.33
RAB9A P51151 1/20 0.33
PYGL P06737 1/20 0.31
ERAP1 Q9NZ08 1/20 0.31
FABP4 P15090 3/20 0.30
FABP5 Q01469 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL2808923 0.86 CYP4F2 (0.40) PTGS1CYP4F2CYP4A11GPR132
SCHEMBL2808925 0.86 CYP4F2 (0.40) PTGS1CYP4F2CYP4A11GPR132
SCHEMBL12473747 0.74 ABL1 (0.34)
SCHEMBL2896682 0.73 KDM4E (0.47) PTGS1KDM4E
SCHEMBL26334621 0.73 PTGS1 (0.39) PTGS1NPC1JAK2RAB9A
SCHEMBL14856727 0.72 CYP4F2 (0.33) PTGS1CYP4F2CYP4A11
SCHEMBL185219 0.72 KDM4E (0.53) PTGS1GPR132KDM4EHSD17B10
SCHEMBL2805091 0.71 PTGS1 (0.46) PTGS1KDM4E
SCHEMBL185415 0.71 BDKRB1 (0.47) GPR132PYGLKDM4EHSD17B10
SCHEMBL2414968 0.71 SMYD3 (0.47) NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2539323-B3 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2017-10-04 EP disclosed
EP-2539323-B3 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2017-10-04 EP disclosed
EP-2539323-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2014-12-03 EP disclosed
EP-2539323-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2014-12-03 EP disclosed
US-8372838-B2 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-12 US disclosed
US-8372838-B2 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-12 US disclosed
US-20120142695-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-20120142695-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
WO-2011104203-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 WO 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 (1 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-20120142695-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, EDNRB PTGS1 182/4885CYP4F2 2566/4885CYP4A11 828/4885

“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.