SCHEMBL14916645

SCHEMBL14916645

COc1cc2c3c(c(=O)oc2c(C=O)c1O)CCC3

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.50
PIK3CA P42336 1/20 0.49
PIK3CG P48736 1/20 0.49
MAOB P27338 2/20 0.47
ALDH1A1 P00352 9/20 0.44
TSHR P16473 4/20 0.44
HPGD P15428 8/20 0.44
KDM4E B2RXH2 6/20 0.44
HSD17B10 Q99714 4/20 0.44
GLA P06280 4/20 0.44
GAA P10253 4/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CASP1 P29466 2/20 0.44
CASP7 P55210 2/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
THRB P10828 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL14925108 0.84 ALDH1A1 (0.51) MAOAALDH1A1TSHRHPGDKDM4E
SCHEMBL2574190 0.80 CA12 (0.48) PIK3CAPIK3CGALDH1A1HPGDKDM4E
SCHEMBL30406821 0.80 CA12 (0.48) PIK3CAPIK3CGALDH1A1HPGDKDM4E
SCHEMBL14924887 0.76 ALDH1A1 (0.53) PIK3CAPIK3CGALDH1A1TSHRHPGD
SCHEMBL2553892 0.74 CA12 (0.42) PIK3CAPIK3CGALDH1A1HPGDKDM4E
SCHEMBL14930141 0.74 ERN1 (0.54) PIK3CAPIK3CGALDH1A1TSHRHPGD
SCHEMBL19069038 0.73 ERN1 (0.42) PIK3CAPIK3CGALDH1A1HPGDKDM4E
SCHEMBL4397355 0.72 MAOB (0.67) MAOAMAOBALDH1A1TSHRHPGD
SCHEMBL22882618 0.72 ERN1 (0.49) ALDH1A1HPGDKDM4EHSD17B10GLA
SCHEMBL14930154 0.71 KDM4E (0.48) PIK3CAPIK3CGALDH1A1HPGDKDM4E

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 26 patents — showing the first 20. 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
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-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-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-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 (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 MAOA 4584/4885PIK3CA 3019/4885PIK3CG 3589/4885
US-11337956-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 MAOA 4600/4885PIK3CA 3018/4885PIK3CG 3706/4885
US-20190314330-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 MAOA 4584/4885PIK3CA 3019/4885PIK3CG 3589/4885
US-10357475-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 MAOA 4600/4885PIK3CA 3018/4885PIK3CG 3706/4885
US-20130116247-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 MAOA 4560/4885PIK3CA 2857/4885PIK3CG 3527/4885

“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.