SCHEMBL16701548

SCHEMBL16701548

COc1cccc(-c2cc(NC(=O)c3ccc(-c4ccc(O)cc4)cc3)ccc2OC)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.63
▸ PLAU P00749 5/20 0.58
▸ PLG P00747 2/20 0.58
▸ PLAT P00750 2/20 0.58
▸ POLB P06746 2/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ AR P10275 2/20 0.56
▸ PGR P06401 1/20 0.56
▸ NPC1 O15118 3/20 0.55
▸ RAB9A P51151 3/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ TP53 P04637 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ PKM P14618 1/20 0.55
▸ HSP90AA1 P07900 1/20 0.54
▸ HSP90AB1 P08238 1/20 0.54
▸ ADORA3 P0DMS8 1/20 0.54
▸ MEN1 O00255 1/20 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
SCHEMBL16701391 0.93 PLAU (0.65) TRPV1PLAUPLGPLATPOLB
SCHEMBL23969978 0.87 TRPV1 (0.56) TRPV1PLAUPLGPLATPOLB
SCHEMBL28679471 0.84 PLAU (0.50) TRPV1PLAUPLGPLATPOLB
SCHEMBL16701866 0.84 MAPT (0.52) PLAUPLGPLATPOLBCYP3A4
SCHEMBL16712953 0.81 HSP90AA1 (0.58) TRPV1PLAUPLGPLATPOLB
SCHEMBL22529667 0.80 PLAU (0.51) TRPV1PLAUPLGPLATPOLB
SCHEMBL29460658 0.80 PLAU (0.51) TRPV1PLAUPLGPLATPOLB
SCHEMBL16701560 0.78 ABCB1 (0.67) NPC1RAB9ASMN1; SMN2HSP90AA1HSP90AB1
SCHEMBL4253111 0.78 TRPV1 (1.00) TRPV1PLAUPLGPLATPOLB
SCHEMBL16712946 0.77 MCHR1 (0.61) PLAUPLGPLATPOLBCYP1A2

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 11 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
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 TRPV1 3393/4885PLAU 4810/4885PLG 4537/4885
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P TRPV1 3393/4885PLAU 4810/4885PLG 4537/4885

“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.

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