SCHEMBL14916795

SCHEMBL14916795

O=Cc1c(O)ccc2oc(C(=O)N3CCOCC3)cc12

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 9/20 0.60
RAB9A P51151 4/20 0.52
NPC1 O15118 2/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 2/20 0.41
TP53 P04637 2/20 0.41
LMNA P02545 1/20 0.40
HPGD P15428 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
SCHEMBL30406453 1.00 ERN1 (0.60) ERN1RAB9ANPC1ALDH1A1KDM4E
SCHEMBL22840598 0.95 ERN1 (0.56) ERN1RAB9ANPC1ALDH1A1KDM4E
SCHEMBL2556031 0.86 ERN1 (0.61) ERN1RAB9ANPC1ALDH1A1KDM4E
SCHEMBL5584787 0.79 RAB9A (0.53) RAB9ANPC1ALDH1A1KDM4EPOLB
SCHEMBL14925141 0.78 ERN1 (0.46) ERN1RAB9AALDH1A1POLB
SCHEMBL2568190 0.78 ERN1 (0.56) ERN1RAB9ANPC1ALDH1A1KDM4E
SCHEMBL2547939 0.77 CSNK2A1 (0.54) ERN1ALDH1A1KDM4EPOLBHSD17B10
SCHEMBL14930229 0.76 KDM4E (0.67) ERN1ALDH1A1KDM4EPOLBHSD17B10
SCHEMBL15592524 0.75 ERN1 (1.00) ERN1RAB9ANPC1
SCHEMBL14916904 0.74 ERN1 (0.61) ERN1ALDH1A1KDM4EHPGD

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 32 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-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
CN-103079558-A IRE-1 alpha inhibitors MANNKIND CORP 2013-05-01 CN 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 ERN1 1/4885RAB9A 1146/4885NPC1 822/4885
US-11337956-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 ERN1 2/4885RAB9A 1149/4885NPC1 628/4885
US-20190314330-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 ERN1 1/4885RAB9A 1146/4885NPC1 822/4885
US-10357475-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 ERN1 2/4885RAB9A 1149/4885NPC1 628/4885
US-20130116247-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 ERN1 1/4885RAB9A 1093/4885NPC1 705/4885

“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.