SCHEMBL2554440

SCHEMBL2554440

O=C(O)c1ccc(-c2nc3ccc(O)cc3s2)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 8/20 0.54
▸ SULT1A1 P50225 4/20 0.54
▸ GPR35 Q9HC97 1/20 0.50
▸ HPGDS O60760 1/20 0.49
▸ MAPT P10636 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ RPS6KB2 Q9UBS0 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ DYRK1A Q13627 1/20 0.46
▸ HSD17B1 P14061 1/20 0.45
▸ HSD17B2 P37059 1/20 0.45
▸ CA12 O43570 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
SCHEMBL2552559 0.81 APP (0.55) APPMAPTKDM4ESMN1; SMN2POLB
SCHEMBL14916683 0.78 ALDH1A1 (0.58) APPSULT1A1GPR35MAPTKDM4E
SCHEMBL30405538 0.78 ALDH1A1 (0.58) APPSULT1A1GPR35MAPTKDM4E
SCHEMBL14157073 0.77 APP (0.68) APPSULT1A1GPR35MAPTKDM4E
SCHEMBL1289509 0.75 ESR1 (0.51) HPGDSKDM4ESMN1; SMN2RPS6KB2POLB
SCHEMBL4352378 0.75 HSD17B1 (0.67) MAPTGAAHTTL3MBTL1DYRK1A
SCHEMBL29377869 0.73 GPR35 (0.52) APPSULT1A1GPR35MAPTKDM4E
SCHEMBL4746701 0.73 GPR35 (0.52) APPSULT1A1GPR35MAPTKDM4E
SCHEMBL1179812 0.73 SMN1; SMN2 (0.68) APPSULT1A1MAPTKDM4ESMN1; SMN2
SCHEMBL27903671 0.72 GPR35 (0.48) APPSULT1A1GPR35MAPTKDM4E

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
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
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
EP-3409276-A1 IRE-1A INHIBITORS Fosun Orinove Pharmatech, Inc. (CN) 2018-12-05 — — EP disclosed
EP-2555768-B1 IRE-1 INHIBITORS FOSUN ORINOVE PHARMATECH INC (CN) 2018-08-29 — — EP 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-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-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
EP-2555768-A2 IRE-1 INHIBITORS MannKind Corporation (US) 2013-02-13 — — EP disclosed
WO-2011127070-A2 IRE-1α INHIBITORS MANNKIND CORPORATION (US) 2011-10-13 — — WO 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 APP 2146/4885SULT1A1 2692/4885GPR35 4487/4885
US-20170326104-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 APP 2146/4885SULT1A1 2692/4885GPR35 4487/4885
US-11337956-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 APP 1427/4885SULT1A1 2700/4885GPR35 4518/4885
US-20190314330-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 APP 2146/4885SULT1A1 2692/4885GPR35 4487/4885
US-10357475-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 APP 1427/4885SULT1A1 2700/4885GPR35 4518/4885
US-20130116247-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 APP 1860/4885SULT1A1 2577/4885GPR35 4522/4885

“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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