SCHEMBL14925523

SCHEMBL14925523

O=Cc1c(O)ccc2[nH]c(C(=O)O)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
HSD17B10 Q99714 4/20 0.50
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.50
SMAD3 P84022 1/20 0.46
NGFR P08138 1/20 0.45
GPR35 Q9HC97 3/20 0.45
HPGD P15428 3/20 0.45
CYP2C19 P33261 2/20 0.45
GRIN1 Q05586 2/20 0.45
MEN1 O00255 1/20 0.45
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
CYP1A2 P05177 1/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
AHR P35869 1/20 0.45
CHRNA7 P36544 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL6838149 0.80 KDM4E (0.56) KDM4EHSD17B10ALDH1A1LMNASMAD3
SCHEMBL2567378 0.79 ALOX15 (0.47) KDM4EALDH1A1GRIN1GRIN2DGRIN2A
SCHEMBL7471060 0.79 KDM4E (0.52) KDM4EHSD17B10ALDH1A1LMNAHPGD
SCHEMBL27482998 0.77 KDM4E (0.53) KDM4EHSD17B10ALDH1A1LMNASMAD3
SCHEMBL14916137 0.76 HRH4 (0.66)
SCHEMBL14916494 0.76 ERN1 (0.55) ERN1
SCHEMBL30406065 0.75 NPC1 (0.44) KDM4EHSD17B10ALDH1A1LMNAHPGD
SCHEMBL22840481 0.75 KDM4E (0.43) KDM4EHSD17B10ALDH1A1HPGDERN1
SCHEMBL21180073 0.74 ERN1 (0.44) ERN1
SCHEMBL2565847 0.74 HTR2C (0.55) KDM4EHSD17B10ALDH1A1HPGD

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
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
US-9867803-B2 IRE-1α inhibitors SHANGHAI FOSUN PHARMACEUTICAL INDUSTRIAL DEVELOPMENT CO. LTD. (CN) 2018-01-16 US 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-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-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

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 KDM4E 2950/4885HSD17B10 2046/4885ALDH1A1 2024/4885
US-20170326104-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 KDM4E 2950/4885HSD17B10 2046/4885ALDH1A1 2024/4885
US-11337956-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 KDM4E 2619/4885HSD17B10 2082/4885ALDH1A1 1815/4885
US-20190314330-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 KDM4E 2950/4885HSD17B10 2046/4885ALDH1A1 2024/4885
US-10357475-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 KDM4E 2619/4885HSD17B10 2082/4885ALDH1A1 1815/4885
US-20130116247-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 KDM4E 2975/4885HSD17B10 2092/4885ALDH1A1 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.