SCHEMBL14925486

SCHEMBL14925486

CCOC(=O)CCc1nc2cc(O)ccc2n1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
ALDH1A1 P00352 6/20 0.48
PKM P14618 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
GAA P10253 2/20 0.46
RECQL P46063 1/20 0.46
MAPT P10636 1/20 0.46
HSD17B10 Q99714 2/20 0.44
USP2 O75604 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
POLB P06746 1/20 0.43
KDM4E B2RXH2 2/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42

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
SCHEMBL14925479 0.90 HDAC6 (0.47) TSHRNPSR1RXFP1ALDH1A1PKM
SCHEMBL14925487 0.89 TSHR (0.50) TSHRNPSR1RXFP1ALDH1A1PKM
SCHEMBL17882590 0.86 TSHR (0.48) TSHRNPSR1RXFP1ALDH1A1PKM
SCHEMBL16866948 0.86 TSHR (0.48) TSHRNPSR1RXFP1ALDH1A1PKM
SCHEMBL14930224 0.85 ALDH1A1 (0.53) TSHRNPSR1RXFP1ALDH1A1PKM
SCHEMBL14930204 0.83 HDAC6 (0.52) TSHRALDH1A1PKMHDAC6KMT2A
SCHEMBL14925481 0.81 HDAC6 (0.48) TSHRNPSR1RXFP1ALDH1A1PKM
SCHEMBL16866945 0.81 HDAC6 (0.56) TSHRNPSR1RXFP1ALDH1A1PKM
SCHEMBL16866946 0.80 HDAC6 (0.69) TSHRNPSR1RXFP1ALDH1A1PKM
SCHEMBL10021006 0.80 TNF (0.52) TSHRNPSR1RXFP1ALDH1A1PKM

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 TSHR 3388/4885NPSR1 4370/4885RXFP1 2055/4885
US-20170326104-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 TSHR 3388/4885NPSR1 4370/4885RXFP1 2055/4885
US-11337956-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 TSHR 3239/4885NPSR1 4392/4885RXFP1 1804/4885
US-20190314330-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 TSHR 3388/4885NPSR1 4370/4885RXFP1 2055/4885
US-10357475-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 TSHR 3239/4885NPSR1 4392/4885RXFP1 1804/4885
US-20130116247-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 TSHR 3240/4885NPSR1 4397/4885RXFP1 2001/4885

“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.