SCHEMBL14916149

SCHEMBL14916149

Cc1c(C(N)=S)c(=O)oc2cc(O)ccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 7/20 0.67
ESR1 P03372 4/20 0.55
ESR2 Q92731 4/20 0.55
ERAP1 Q9NZ08 2/20 0.55
PDE2A O00408 1/20 0.51
KDM4E B2RXH2 4/20 0.51
GLA P06280 4/20 0.51
GAA P10253 4/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
CA2 P00918 1/20 0.51
MEN1 O00255 1/20 0.51
S1PR4 O95977 1/20 0.51
MAPT P10636 1/20 0.51
MIF P14174 1/20 0.51
S1PR1 P21453 1/20 0.51
KMT2A Q03164 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
CASP1 P29466 2/20 0.51

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
SCHEMBL2226810 0.82 HSD17B3 (0.71) HSD17B3ESR1ESR2ERAP1PDE2A
SCHEMBL125671 0.82 HSD17B3 (0.71) HSD17B3ESR1ESR2ERAP1PDE2A
SCHEMBL31366988 0.81 HSD17B3 (1.00) HSD17B3ESR1ESR2ERAP1PDE2A
SCHEMBL591899 0.81 HSD17B3 (1.00) HSD17B3ESR1ESR2ERAP1PDE2A
SCHEMBL31281312 0.81 HSD17B3 (0.69) HSD17B3ESR1ESR2ERAP1PDE2A
SCHEMBL28446883 0.79 HSD17B3 (0.96) HSD17B3ESR1ESR2ERAP1PDE2A
SCHEMBL6907581 0.78 HSD17B3 (0.75) HSD17B3ESR1ESR2ERAP1PDE2A
SCHEMBL10849966 0.78 HSD17B3 (0.65) HSD17B3ESR1ESR2ERAP1PDE2A
SCHEMBL27725308 0.78 HSD17B3 (0.69) HSD17B3ESR1ESR2ERAP1PDE2A
SCHEMBL28096263 0.77 HSD17B3 (0.63) HSD17B3ESR1ESR2ERAP1KDM4E

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 32 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-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-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
CN-103079558-A IRE-1 alpha inhibitors MANNKIND CORP 2013-05-01 CN 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 HSD17B3 1601/4885ESR1 1371/4885ESR2 468/4885
US-11337956-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 HSD17B3 1727/4885ESR1 982/4885ESR2 400/4885
US-20190314330-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 HSD17B3 1601/4885ESR1 1371/4885ESR2 468/4885
US-10357475-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 HSD17B3 1727/4885ESR1 982/4885ESR2 400/4885
US-20130116247-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 HSD17B3 1583/4885ESR1 1260/4885ESR2 460/4885

“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.