SCHEMBL2568433

SCHEMBL2568433

COc1ccc2c(c1C=O)CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.52
NR1H2 P55055 1/20 0.51
ABHD6 Q9BV23 1/20 0.46
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ADORA1 P30542 1/20 0.43
STS P08842 1/20 0.43
MAPK1 P28482 1/20 0.43
F13A1 P00488 1/20 0.42
TGM2 P21980 1/20 0.42
TGM1 P22735 1/20 0.42
ACACB O00763 1/20 0.42
SCN9A Q15858 1/20 0.42
HDAC1 Q13547 1/20 0.42
UCHL1 P09936 1/20 0.41
P2RX3 P56373 2/20 0.41
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40

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
SCHEMBL30406062 1.00 ESR2 (0.52) ESR2NR1H2ABHD6MAPTKDM4E
SCHEMBL14925192 0.91 ESR2 (0.52) ESR2NR1H2MAPTKDM4EADORA1
SCHEMBL20216030 0.87 ESR2 (0.55) ESR2NR1H2ABHD6MAPTKDM4E
SCHEMBL17890673 0.86 ESR2 (0.57) ESR2NR1H2MAPTKDM4EADORA1
SCHEMBL29590654 0.86 ESR2 (0.57) ESR2NR1H2MAPTKDM4EADORA1
SCHEMBL29591040 0.85 ESR2 (0.47) ESR2NR1H2ABHD6MAPTKDM4E
SCHEMBL17890596 0.85 ESR2 (0.47) ESR2NR1H2ABHD6MAPTKDM4E
SCHEMBL16039921 0.84 ESR2 (0.58) ESR2NR1H2ABHD6MAPTKDM4E
SCHEMBL16038280 0.84 ESR2 (0.55) ESR2NR1H2ABHD6MAPTKDM4E
SCHEMBL14686344 0.84 MAPK1 (0.42) ABHD6MAPTKDM4EMAPK1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110172051-B IRE-1 alpha inhibitors 复星弘创(苏州)医药科技有限公司 2023-03-07 CN disclosed
US-11337956-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2022-05-24 US disclosed
US-11337956-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2022-05-24 US disclosed
EP-3799870-A1 IRE-1A INHIBITORS Fosun Orinove Pharmatech, Inc. (CN) 2021-04-07 EP disclosed
EP-3799870-A1 IRE-1A INHIBITORS Fosun Orinove Pharmatech, Inc. (CN) 2021-04-07 EP disclosed
EP-3409276-B1 IRE-1A INHIBITORS FOSUN ORINOVE PHARMATECH INC (CN) 2020-12-30 EP disclosed
EP-3409276-B1 IRE-1A INHIBITORS FOSUN ORINOVE PHARMATECH INC (CN) 2020-12-30 EP disclosed
US-20190314330-A1 IRE-1ALPHA INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2019-10-17 US disclosed
US-20190314330-A1 IRE-1ALPHA INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2019-10-17 US disclosed
US-10357475-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2019-07-23 US disclosed
US-9040714-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2015-05-26 US disclosed
US-9040714-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2015-05-26 US disclosed
US-20150141424-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2015-05-21 US disclosed
US-20150141424-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2015-05-21 US disclosed
US-20150141424-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2015-05-21 US disclosed
US-20130116247-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2013-05-09 US disclosed
US-20130116247-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2013-05-09 US disclosed
US-20130116247-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2013-05-09 US disclosed
EP-2555768-A2 IRE-1 INHIBITORS MannKind Corporation (US) 2013-02-13 EP disclosed
WO-2011127070-A2 IRE-1α INHIBITORS MANNKIND CORPORATION (US) 2011-10-13 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 (5 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-20150141424-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 ESR2 468/4885NR1H2 909/4885ABHD6 3886/4885
US-11337956-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 ESR2 400/4885NR1H2 914/4885ABHD6 3896/4885
US-20190314330-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 ESR2 468/4885NR1H2 909/4885ABHD6 3886/4885
US-10357475-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 ESR2 400/4885NR1H2 914/4885ABHD6 3896/4885
US-20130116247-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 ESR2 460/4885NR1H2 1025/4885ABHD6 3742/4885

“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.