SCHEMBL2937346

SCHEMBL2937346

CS(=O)(=O)N1CCC(NC(=O)O)CC1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.58
EPHX2 P34913 4/20 0.55
EPHX1 P07099 1/20 0.55
LMNA P02545 1/20 0.54
NPY5R Q15761 5/20 0.49
ALDH1A1 P00352 3/20 0.49
SMYD3 Q9H7B4 1/20 0.49
MAPT P10636 1/20 0.46
POLB P06746 1/20 0.45
CYP2C19 P33261 1/20 0.45
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 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
SCHEMBL15017224 0.89 TP53 (0.50) TP53EPHX2EPHX1LMNANPY5R
SCHEMBL23573353 0.89 TP53 (0.50) TP53EPHX2EPHX1LMNANPY5R
SCHEMBL23573267 0.89 TP53 (0.50) TP53EPHX2EPHX1LMNANPY5R
SCHEMBL20482733 0.87 TSHR (0.44) TP53EPHX2EPHX1LMNANPY5R
SCHEMBL4919816 0.86 EPHX2 (0.65) TP53EPHX2EPHX1LMNANPY5R
SCHEMBL14383590 0.85 EPHX2 (0.55) TP53EPHX2EPHX1LMNANPY5R
SCHEMBL17591906 0.82 MEN1 (0.43) TP53EPHX2EPHX1LMNAALDH1A1
SCHEMBL19857409 0.81 L3MBTL1 (0.43) TP53EPHX2EPHX1LMNAALDH1A1
SCHEMBL27033460 0.81 EPHX2 (0.58) EPHX2LMNAALDH1A1SMYD3TSHR
SCHEMBL21596769 0.80 EPHX2 (0.61) EPHX2EPHX1LMNANPY5RALDH1A1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4313968-A2 SUBSTITUTED 1-ARYL-1'-HETEROARYL COMPOUNDS, SUBSTITUTED 1,1'-BIHETEROARYL COMPOUNDS, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2024-02-07 EP disclosed
US-20210198239-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2021-07-01 US disclosed
US-20190000832-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF Selder Pharma Inc. (US) 2019-01-03 US disclosed
US-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2018-07-10 US disclosed
US-9758505-B2 3-(indol-3-yl)-pyridine derivatives, pharmaceutical compositions and methods for use ITEOS THERAPEUTICS (BE) 2017-09-12 US disclosed
US-20170189390-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF SELDAR PHARMA INC. (US) 2017-07-06 US disclosed
US-9526719-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2016-12-27 US disclosed
EP-3105225-A1 NOVEL 3-(INDOL-3-YL)-PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE iTeos Therapeutics (BE) 2016-12-21 EP disclosed
US-20150359787-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF SELDAR PHARMA INC. (US) 2015-12-17 US disclosed
EP-2149561-B1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF SELDAR PHARMA INC (US) 2015-09-09 EP disclosed
WO-2015121812-A1 NOVEL 3-(INDOL-3-YL)-PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2015-08-20 WO disclosed
US-20150225367-A1 NOVEL 3-(INDOL-3-YL)-PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2015-08-13 US disclosed
US-20140058100-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF SELDAR PHARMA INC. (US) 2014-02-27 US disclosed
EP-2149561-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-02-03 EP 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 (7 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-20210198239-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR ENTPD5, ADORA2A, ENTPD1 TP53 2941/4885EPHX2 959/4885EPHX1 629/4885
US-20170189390-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 TP53 4846/4885EPHX2 2653/4885EPHX1 2925/4885
US-20150359787-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 TP53 4846/4885EPHX2 2653/4885EPHX1 2925/4885
US-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof BRS3, BDKRB2, NTSR2 TP53 4846/4885EPHX2 2653/4885EPHX1 2925/4885
US-20150225367-A1 NOVEL 3-(INDOL-3-YL)-PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TDO2, IDO1, IDO2 TP53 628/4885EPHX2 1362/4885EPHX1 1415/4885
US-20140058100-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 TP53 4846/4885EPHX2 2653/4885EPHX1 2925/4885
US-20190000832-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 TP53 4846/4885EPHX2 2653/4885EPHX1 2925/4885

“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.