Sugi Predict

Sugi Predict / Compounds / SCHEMBL764425

SCHEMBL764425

SCHEMBL764425

CC(O)c1ccc(Oc2ccc(CNC(=O)C3(NC(=O)c4cncnc4)CC3)cc2)c(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BDKRB1 P46663 5/20 0.48
▸ CNR1 P21554 3/20 0.37
▸ SCN9A Q15858 1/20 0.36
▸ PSMB11 A5LHX3 2/20 0.35
▸ PSMA7 O14818 2/20 0.35
▸ PSMB1 P20618 2/20 0.35
▸ PSMA1 P25786 2/20 0.35
▸ PSMA2 P25787 2/20 0.35
▸ PSMA3 P25788 2/20 0.35
▸ PSMA4 P25789 2/20 0.35
▸ PSMB8 P28062 2/20 0.35
▸ PSMB9 P28065 2/20 0.35
▸ PSMA5 P28066 2/20 0.35
▸ PSMB4 P28070 2/20 0.35
▸ PSMB6 P28072 2/20 0.35
▸ PSMB5 P28074 2/20 0.35
▸ PSMB10 P40306 2/20 0.35
▸ PSMB3 P49720 2/20 0.35
▸ PSMB2 P49721 2/20 0.35
▸ PSMA6 P60900 2/20 0.35

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
SCHEMBL13165730 0.95 BDKRB1 (0.43) BDKRB1CNR1SCN9APSMB11PSMA7
SCHEMBL13165590 0.92 BDKRB1 (0.41) BDKRB1CNR1SCN9AMAPK14CCR2
SCHEMBL13165726 0.92 BDKRB1 (0.41) BDKRB1CNR1SCN9AMAPK14CCR2
SCHEMBL10121335 0.91 BDKRB1 (0.45) BDKRB1CNR1SCN9AALDH1A1
SCHEMBL13165724 0.91 BDKRB1 (0.40) BDKRB1CNR1SCN9AMAPK14CCR2
SCHEMBL13191286 0.91 BDKRB1 (0.41) BDKRB1CNR1SCN9APSMB11PSMA7
SCHEMBL13165737 0.90 BDKRB1 (0.41) BDKRB1CNR1SCN9ACCR2KCNH2
SCHEMBL764500 0.89 BDKRB1 (0.43) BDKRB1SCN9APSMB11PSMA7PSMB1
SCHEMBL10121505 0.89 BDKRB1 (0.50) BDKRB1CNR1PTGER4PTGER2CARM1
SCHEMBL764466 0.88 BDKRB1 (0.51) BDKRB1CNR1MAPK14PTGER4PTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2015-01-08 — — US disclosed
US-8916589-B2 Bradykinin B1-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-23 — — US disclosed
US-8916589-B2 Bradykinin B1-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-23 — — US disclosed
EP-2188254-B1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-03-21 — — EP disclosed
US-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 — — US disclosed
US-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 — — US disclosed
WO-2009027450-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-05 — — 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 (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-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BDKRB1, BDKRB2, EDNRB BDKRB1 1/4885CNR1 72/4885SCN9A 613/4885
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS ABCG2, ABCB1, ABCC1 BDKRB1 1728/4885CNR1 265/4885SCN9A 4305/4885

“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.