SCHEMBL2552734

SCHEMBL2552734

COc1ccc(NC(=O)C(F)(F)F)c(OC)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.74
NPSR1 Q6W5P4 1/20 0.74
ALDH1A1 P00352 3/20 0.65
CYP1A2 P05177 2/20 0.60
CYP1A1 P04798 1/20 0.60
CYP1B1 Q16678 1/20 0.60
HPGD P15428 1/20 0.59
MAPT P10636 4/20 0.58
GAA P10253 3/20 0.57
NPC1 O15118 1/20 0.57
LMNA P02545 1/20 0.57
AHR P35869 1/20 0.57
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
LPAR1 Q92633 1/20 0.56
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
KDM4E B2RXH2 1/20 0.55

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
SCHEMBL29785065 1.00 TSHR (0.74) TSHRNPSR1ALDH1A1CYP1A2CYP1A1
SCHEMBL14254903 0.86 TSHR (0.68) TSHRNPSR1ALDH1A1CYP1A2CYP1A1
SCHEMBL6569428 0.85 TSHR (0.71) TSHRNPSR1ALDH1A1CYP1A2CYP1A1
SCHEMBL27430704 0.84 TSHR (0.55) TSHRNPSR1ALDH1A1CYP1A2HPGD
SCHEMBL29679686 0.84 NPSR1 (0.55) TSHRNPSR1ALDH1A1CYP1A2GAA
SCHEMBL5788197 0.84 NPSR1 (0.55) TSHRNPSR1ALDH1A1CYP1A2GAA
SCHEMBL6555240 0.83 CYP1A2 (0.54) TSHRNPSR1ALDH1A1CYP1A2CYP1A1
SCHEMBL1238843 0.83 CYP1A2 (0.54) TSHRNPSR1ALDH1A1CYP1A2MAPT
SCHEMBL6811200 0.83 MAPT (0.54) TSHRNPSR1ALDH1A1CYP1A2CYP1A1
SCHEMBL15903926 0.82 ABCC9 (0.58) TSHRNPSR1ALDH1A1CYP1A2HPGD

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 33 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
CN-110172051-A IRE-1 alpha inhibitor 复星弘创(苏州)医药科技有限公司 2019-08-27 CN 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
US-7741352-B2 KCNQ channel modulating compounds and their pharmaceutical use NEUROSEARCH A/S (DK) 2010-06-22 US disclosed
US-20060173058-A1 Kcnq channel modulating compounds and their pharmaceutical use NEUROSEARCH A/S (DK) 2006-08-03 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 (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 TSHR 3388/4885NPSR1 4370/4885ALDH1A1 2024/4885
US-11337956-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 TSHR 3239/4885NPSR1 4392/4885ALDH1A1 1815/4885
US-20190314330-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 TSHR 3388/4885NPSR1 4370/4885ALDH1A1 2024/4885
US-20130116247-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 TSHR 3240/4885NPSR1 4397/4885ALDH1A1 2036/4885
US-20060173058-A1 Kcnq channel modulating compounds and their pharmaceutical use KCNQ1, KCNQ2, KCNQ5 TSHR 2813/4885NPSR1 1001/4885ALDH1A1 4394/4885

“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.