SCHEMBL2554631

SCHEMBL2554631

NC(=S)c1cc2ccc(O)cc2oc1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 1.00
KMT2A Q03164 7/20 1.00
MIF P14174 5/20 1.00
ALDH1A1 P00352 4/20 1.00
KDM4E B2RXH2 3/20 1.00
S1PR4 O95977 3/20 1.00
GLA P06280 3/20 1.00
GAA P10253 3/20 1.00
S1PR1 P21453 3/20 1.00
MAPT P10636 2/20 1.00
HPGD P15428 2/20 1.00
NPSR1 Q6W5P4 1/20 1.00
RXFP1 Q9HBX9 1/20 1.00
TDP1 Q9NUW8 1/20 0.64
HSD17B3 P37058 1/20 0.57
PFKFB3 Q16875 1/20 0.56
ESR2 Q92731 1/20 0.54
PTGS1 P23219 1/20 0.53
CA9 Q16790 1/20 0.53
PKM P14618 1/20 0.52

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
SCHEMBL893210 0.85 MEN1 (0.74) MEN1KMT2AMIFALDH1A1KDM4E
SCHEMBL24240029 0.83 MEN1 (0.70) MEN1KMT2AMIFALDH1A1KDM4E
SCHEMBL1368289 0.81 MEN1 (0.76) MEN1KMT2AMIFALDH1A1KDM4E
SCHEMBL1366686 0.81 MIF (0.77) MEN1KMT2AMIFALDH1A1KDM4E
SCHEMBL28987424 0.81 MEN1 (0.68) MEN1KMT2AMIFALDH1A1KDM4E
SCHEMBL37883 0.80 MAOA (0.76) MEN1KMT2AMIFALDH1A1KDM4E
SCHEMBL8934632 0.80 ALDH1A1 (0.67) MEN1KMT2AMIFALDH1A1KDM4E
SCHEMBL31955669 0.80 ALDH1A1 (0.67) MEN1KMT2AMIFALDH1A1KDM4E
SCHEMBL592707 0.79 MEN1 (1.00) MEN1KMT2AMIFALDH1A1KDM4E
SCHEMBL11070463 0.79 MEN1 (0.71) MEN1KMT2AMIFALDH1A1KDM4E

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993016064-A1 COUMARIN DERIVATIVES AND THEIR ANALOGUES INHIBITING CELL PROLIFERATION AND TUMOUR GROWTH, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME BIOSIGNAL, Kutató-Fejleszto^' Kft. (HU) 1993-08-19 WO claimed
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-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
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
WO-1993016064-A1 COUMARIN DERIVATIVES AND THEIR ANALOGUES INHIBITING CELL PROLIFERATION AND TUMOUR GROWTH, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME BIOSIGNAL, Kutató-Fejleszto^' Kft. (HU) 1993-08-19 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 (4 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 MEN1 3936/4885KMT2A 4481/4885MIF 1201/4885
US-11337956-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 MEN1 3922/4885KMT2A 4345/4885MIF 1291/4885
US-20190314330-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 MEN1 3936/4885KMT2A 4481/4885MIF 1201/4885
US-20130116247-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 MEN1 3674/4885KMT2A 4509/4885MIF 1453/4885

“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.