SCHEMBL16701635

SCHEMBL16701635

COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OCCC5CCCCN5)cc4)cc3)ccc2OC)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLAU P00749 6/20 0.49
PLG P00747 3/20 0.49
PLAT P00750 3/20 0.49
HSP90AA1 P07900 2/20 0.45
HSP90AB1 P08238 2/20 0.45
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
ABL1 P00519 3/20 0.44
CHEK2 O96017 1/20 0.43
MCHR1 Q99705 1/20 0.42

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
SCHEMBL16701707 0.85 PLAU (0.52) PLAUPLGPLATHSP90AA1HSP90AB1
SCHEMBL16712946 0.80 MCHR1 (0.61) PLAUPLGPLATHSP90AA1HSP90AB1
SCHEMBL16702047 0.79 KDR (0.60) PLAUPLGPLATHSP90AA1HSP90AB1
SCHEMBL16713005 0.79 PLAU (0.56) PLAUPLGPLATHSP90AA1HSP90AB1
SCHEMBL23969940 0.77 PLAU (0.50) PLAUPLGPLAT
SCHEMBL16701391 0.76 PLAU (0.65) PLAUPLGPLATHSP90AA1HSP90AB1
SCHEMBL16701388 0.74 HSP90AA1 (0.62) PLAUPLGPLATHSP90AA1HSP90AB1
SCHEMBL23970013 0.74 BCL9 (0.54) PLAUPLGPLATHSP90AA1HSP90AB1
SCHEMBL24477136 0.74 CTNNB1 (0.49) PLAUPLGPLATHSP90AA1HSP90AB1
SCHEMBL23969926 0.73 IDO1 (0.49) PLAUPLGPLATHSP90AA1HSP90AB1

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-3066072-B1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS UNIV KANSAS (US) 2021-11-03 EP disclosed
EP-3066072-B1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS UNIV KANSAS (US) 2021-11-03 EP disclosed
US-10689344-B2 Biphenylamide derivative Hsp90 inhibitors UNIVERSITY OF KANSAS (US) 2020-06-23 US disclosed
US-10689344-B2 Biphenylamide derivative Hsp90 inhibitors UNIVERSITY OF KANSAS (US) 2020-06-23 US disclosed
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS UNIVERSITY OF KANSAS (US) 2016-09-22 US disclosed
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS UNIVERSITY OF KANSAS (US) 2016-09-22 US disclosed
EP-3066072-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS The University of Kansas (US) 2016-09-14 EP disclosed
WO-2015070091-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS THE UNIVERSITY OF KANSAS (US) 2015-05-14 WO disclosed
WO-2015070091-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS THE UNIVERSITY OF KANSAS (US) 2015-05-14 WO disclosed
US-8692018-B2 Application of iridium complexes in asymmetric catalytic hydrogenation of unsaturated carboxylic acids Zheijiang Jiuzhou Pharmaceutical Co., Ltd. (CN) 2014-04-08 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-10689344-B2 Biphenylamide derivative Hsp90 inhibitors HSP90AB1, HSP90AA1, HSP90AB2P PLAU 4810/4885PLG 4537/4885PLAT 4154/4885
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P PLAU 4810/4885PLG 4537/4885PLAT 4154/4885

“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.