SCHEMBL14924903

SCHEMBL14924903

Cc1c(Cc2ccccc2)c(=O)oc2c(C=O)c(O)c(O)cc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.65
GAA P10253 6/20 0.65
POLB P06746 4/20 0.65
SMN1; SMN2 Q16637 4/20 0.65
MAPT P10636 3/20 0.65
HTT P42858 3/20 0.65
JAK2 O60674 1/20 0.65
PKM P14618 1/20 0.65
MAPK1 P28482 1/20 0.65
MPI P34949 1/20 0.65
BLM P54132 1/20 0.65
MCL1 Q07820 1/20 0.65
SHBG P04278 1/20 0.62
GLA P06280 2/20 0.58
HSD17B3 P37058 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
ERAP1 Q9NZ08 1/20 0.58
ALDH1A1 P00352 9/20 0.57
HPGD P15428 4/20 0.57
LMNA P02545 1/20 0.57

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
SCHEMBL22840602 0.84 KDM4E (0.51) KDM4EGAAPOLBSMN1; SMN2MAPT
SCHEMBL2839705 0.79 KDM4E (1.00) KDM4EGAAPOLBSMN1; SMN2MAPT
SCHEMBL7797770 0.77 KDM4E (0.74) KDM4EGAAPOLBSMN1; SMN2MAPT
SCHEMBL972891 0.74 KDM4E (0.58) KDM4EGAAPOLBSMN1; SMN2MAPT
SCHEMBL971942 0.74 KDM4E (1.00) KDM4EGAAPOLBSMN1; SMN2MAPT
SCHEMBL2254242 0.73 MAP2K1 (0.61) KDM4EGAAPOLBSMN1; SMN2MAPT
SCHEMBL14437125 0.72 SHBG (0.54) KDM4EGAAPOLBSMN1; SMN2MAPT
SCHEMBL14317878 0.71 SHBG (0.73) KDM4EGAAPOLBSMN1; SMN2MAPT
SCHEMBL972802 0.71 KDM4E (0.67) KDM4EGAAPOLBSMN1; SMN2MAPT
SCHEMBL3786044 0.70 KDM4E (1.00) KDM4EGAAPOLBSMN1; SMN2MAPT

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-10357475-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2019-07-23 US disclosed
US-9867803-B2 IRE-1α inhibitors SHANGHAI FOSUN PHARMACEUTICAL INDUSTRIAL DEVELOPMENT CO. LTD. (CN) 2018-01-16 US disclosed
US-9867803-B2 IRE-1α inhibitors SHANGHAI FOSUN PHARMACEUTICAL INDUSTRIAL DEVELOPMENT CO. LTD. (CN) 2018-01-16 US disclosed
US-20170326104-A1 IRE-1ALPHA INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2017-11-16 US disclosed
US-20170326104-A1 IRE-1ALPHA INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2017-11-16 US disclosed
US-9693992-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2017-07-04 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 KDM4E 2950/4885GAA 809/4885POLB 2417/4885
US-20170326104-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 KDM4E 2950/4885GAA 809/4885POLB 2417/4885
US-11337956-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 KDM4E 2619/4885GAA 798/4885POLB 2606/4885
US-20190314330-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 KDM4E 2950/4885GAA 809/4885POLB 2417/4885
US-10357475-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 KDM4E 2619/4885GAA 798/4885POLB 2606/4885
US-20130116247-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 KDM4E 2975/4885GAA 638/4885POLB 2394/4885

“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.