SCHEMBL14916596

SCHEMBL14916596

COc1cc2c(cc1C=O)CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.56
▸ NR1H2 P55055 1/20 0.55
▸ KMT2A Q03164 5/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ ATM Q13315 1/20 0.48
▸ MAPK1 P28482 1/20 0.47
▸ HCRTR2 O43614 3/20 0.47
▸ HCRTR1 O43613 2/20 0.47
▸ CHRM4 P08173 1/20 0.46
▸ DRD2 P14416 1/20 0.46
▸ HTR7 P34969 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46
▸ PDE4D Q08499 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ MAP3K5 Q99683 1/20 0.44

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
SCHEMBL14925189 1.00 ESR2 (0.56) ESR2NR1H2KMT2AMEN1ATM
SCHEMBL30406130 1.00 ESR2 (0.56) ESR2NR1H2KMT2AMEN1ATM
SCHEMBL21954188 0.89 ESR2 (0.55) ESR2NR1H2KMT2AMEN1ATM
SCHEMBL26928833 0.89 ESR2 (0.65) ESR2NR1H2KMT2AMEN1ATM
SCHEMBL25949733 0.87 NR1H2 (0.62) ESR2NR1H2MAPK1CHRM4DRD2
SCHEMBL29590263 0.85 ESR2 (0.62) ESR2NR1H2MAPK1HCRTR2HCRTR1
SCHEMBL17890573 0.85 ESR2 (0.62) ESR2NR1H2MAPK1HCRTR2HCRTR1
SCHEMBL31198112 0.84 ESR2 (0.57) ESR2NR1H2MAPK1HCRTR2HCRTR1
SCHEMBL8793500 0.84 ESR2 (0.63) ESR2NR1H2KMT2AMEN1MAPK1
SCHEMBL30278467 0.84 ESR2 (0.63) ESR2NR1H2KMT2AMEN1MAPK1

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 35 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-11345699-B2 Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2022-05-31 — — US disclosed
US-11345699-B2 Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2022-05-31 — — US 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-20200157095-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2020-05-21 — — US disclosed
US-9693992-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2017-07-04 — — 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-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

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 909/4885KMT2A 4481/4885
US-11337956-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 ESR2 400/4885NR1H2 914/4885KMT2A 4345/4885
US-20130116247-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 ESR2 460/4885NR1H2 1025/4885KMT2A 4509/4885
US-11345699-B2 Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof BAD, AIFM1, BCL2 ESR2 1543/4885NR1H2 119/4885KMT2A 3568/4885
US-20200157095-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF BAD, AIFM1, BCL2 ESR2 1543/4885NR1H2 119/4885KMT2A 3568/4885

“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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