SCHEMBL2552967

SCHEMBL2552967

CCOC(=O)CCC(=O)c1cc(OC)c(O)cc1O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.54
STING1 Q86WV6 2/20 0.47
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
RECQL P46063 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HSD17B2 P37059 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAOB P27338 1/20 0.44
HTT P42858 1/20 0.42
FASN P49327 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DPP4 P27487 1/20 0.40

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
SCHEMBL30406452 1.00 HMGCR (0.54) HMGCRSTING1ALDH1A1TSHRHPGD
SCHEMBL14930209 0.93 HMGCR (0.53) HMGCRALDH1A1TSHRHPGDALOX15
SCHEMBL14925328 0.83 TSHR (0.50) HMGCRSTING1ALDH1A1TSHRHPGD
SCHEMBL22840673 0.83 HPGD (0.68) HMGCRALDH1A1TSHRHPGDALOX15
SCHEMBL28052190 0.79 HMGCR (0.83) HMGCRALDH1A1TSHRHPGDALOX15
SCHEMBL28667383 0.79 HMGCR (0.66) HMGCRALDH1A1HPGDHSD17B2KDM4E
SCHEMBL21475691 0.79 HMGCR (0.57) HMGCRALDH1A1TSHRHPGDALOX15
SCHEMBL18397893 0.78 HMGCR (0.53) HMGCRALDH1A1TSHRHPGDALOX15
SCHEMBL10834673 0.78 KDM4E (0.54) STING1ALDH1A1TSHRTDP1KDM4E
SCHEMBL14930208 0.77 HMGCR (0.54) HMGCRALDH1A1TSHRHPGDALOX15

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 28 patents — showing the first 20. 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
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-10357475-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2019-07-23 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
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 (5 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 HMGCR 3646/4885STING1 417/4885ALDH1A1 2024/4885
US-11337956-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 HMGCR 3720/4885STING1 350/4885ALDH1A1 1815/4885
US-20190314330-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 HMGCR 3646/4885STING1 417/4885ALDH1A1 2024/4885
US-10357475-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 HMGCR 3720/4885STING1 350/4885ALDH1A1 1815/4885
US-20130116247-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 HMGCR 3750/4885STING1 348/4885ALDH1A1 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.