SCHEMBL14930118

SCHEMBL14930118

Cc1oc2c(C=O)c(O)ccc2c(=O)c1-c1ccc(C(=O)NCCN2CCOCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 3/20 0.55
▸ KDM4E B2RXH2 4/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ HPGD P15428 3/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ ERN1 O75460 2/20 0.52
▸ CD274 Q9NZQ7 9/20 0.52
▸ RCE1 Q9Y256 1/20 0.51
▸ POLB P06746 1/20 0.47
▸ HTR1A P08908 1/20 0.47
▸ MAOA P21397 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47

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
SCHEMBL14916353 0.89 HPGDS (0.56) HPGDSALDH1A1HPGDERN1CD274
SCHEMBL14930149 0.86 CD274 (0.53) HPGDSKDM4EALDH1A1HPGDERN1
SCHEMBL14930148 0.84 ERN1 (0.48) HPGDSKDM4EALDH1A1HPGDHSD17B10
SCHEMBL16724770 0.82 HPGDS (0.54) HPGDSALDH1A1HPGDERN1CD274
SCHEMBL14916772 0.81 ERN1 (0.52) KDM4EALDH1A1HPGDHSD17B10ERN1
SCHEMBL14924895 0.79 ERN1 (0.63) HPGDSHPGDERN1CD274POLB
SCHEMBL2580526 0.79 MEN1 (0.56) KDM4EALDH1A1HPGDHSD17B10ERN1
SCHEMBL2551435 0.78 TNKS2 (0.50) HPGDSALDH1A1HPGDERN1CD274
SCHEMBL14930164 0.78 ERN1 (0.49) HPGDSALDH1A1HPGDERN1CD274
SCHEMBL12675648 0.78 ERN1 (0.72) HPGDSHPGDERN1CD274

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 13 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-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-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

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 HPGDS 910/4885KDM4E 2950/4885ALDH1A1 2024/4885
US-20170326104-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 HPGDS 910/4885KDM4E 2950/4885ALDH1A1 2024/4885
US-11337956-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 HPGDS 1230/4885KDM4E 2619/4885ALDH1A1 1815/4885
US-20190314330-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 HPGDS 910/4885KDM4E 2950/4885ALDH1A1 2024/4885
US-10357475-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 HPGDS 1230/4885KDM4E 2619/4885ALDH1A1 1815/4885
US-20130116247-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 HPGDS 1003/4885KDM4E 2975/4885ALDH1A1 2036/4885

“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.

Send feedback