SCHEMBL16724770

SCHEMBL16724770

[2H]C(=O)c1c(O)ccc2c(C)c(-c3ccc(C(=O)NCCN4CCOCC4)cc3)c(=O)oc12

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 4/20 0.54
▸ ERN1 O75460 2/20 0.49
▸ CD274 Q9NZQ7 9/20 0.49
▸ HPGD P15428 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ POLB P06746 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HTR1A P08908 1/20 0.46
▸ MAOA P21397 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46

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 0.93 HPGDS (0.56) HPGDSERN1CD274HPGDTP53
SCHEMBL23188353 0.86 HPGDS (0.58) HPGDSERN1CD274HPGDTP53
SCHEMBL19068940 0.86 HPGDS (0.58) HPGDSCD274HPGDTP53POLB
SCHEMBL14924895 0.84 ERN1 (0.63) HPGDSERN1CD274HPGDPOLB
SCHEMBL14930118 0.82 HPGDS (0.55) HPGDSERN1CD274HPGDPOLB
SCHEMBL14930164 0.82 ERN1 (0.49) HPGDSERN1CD274HPGDPOLB
SCHEMBL2551435 0.82 TNKS2 (0.50) HPGDSERN1CD274HPGDPOLB
SCHEMBL14916579 0.80 HPGDS (0.54) HPGDSCD274HPGDPOLBALDH1A1
SCHEMBL30406116 0.80 HPGDS (0.54) HPGDSCD274HPGDPOLBALDH1A1
SCHEMBL14930117 0.79 CD274 (0.53) HPGDSERN1CD274HPGDPOLB

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 19 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
WO-2020020155-A1 IRE1α INHIBITOR IN COMBINATION WITH CANCER THERAPEUTIC AGENT FOR CANCER TREATMENT FOSUN ORINOVE PHARMATECH, INC. (CN) 2020-01-30 — — WO disclosed
WO-2020019107-A1 IRE1α INHIBITOR IN COMBINATION WITH CANCER THERAPEUTIC AGENT FOR CANCER TREATMENT FOSUN ORINOVE PHARMATECH, INC. (CN) 2020-01-30 — — WO 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 HPGDS 910/4885ERN1 1/4885CD274 3415/4885
US-20170326104-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 HPGDS 910/4885ERN1 1/4885CD274 3415/4885
US-11337956-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 HPGDS 1230/4885ERN1 2/4885CD274 2865/4885
US-20190314330-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 HPGDS 910/4885ERN1 1/4885CD274 3415/4885
US-10357475-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 HPGDS 1230/4885ERN1 2/4885CD274 2865/4885
US-20130116247-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 HPGDS 1003/4885ERN1 1/4885CD274 3529/4885

“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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