SCHEMBL3021624

SCHEMBL3021624

Nc1ncnc2c1nc(CCCC=S)n2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ENTPD1 P49961 3/20 0.65
▸ TRPM2 O94759 1/20 0.58
▸ RNASEL Q05823 1/20 0.58
▸ P2RY1 P47900 2/20 0.57

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
SCHEMBL6825629 0.97 ENTPD1 (0.63) ENTPD1TRPM2RNASELP2RY1
SCHEMBL6827694 0.90 ENTPD1 (0.68) ENTPD1TRPM2P2RY1
SCHEMBL3021626 0.90 ENTPD1 (0.67) ENTPD1TRPM2RNASELP2RY1
SCHEMBL6894217 0.89 ENTPD1 (0.66) ENTPD1TRPM2RNASELP2RY1
SCHEMBL7699161 0.89 ENTPD1 (0.66) ENTPD1TRPM2RNASELP2RY1
SCHEMBL6827710 0.89 ENTPD1 (0.70) ENTPD1TRPM2P2RY1
SCHEMBL636536 0.84 ENTPD1 (0.75) ENTPD1TRPM2P2RY1
SCHEMBL636535 0.84 ENTPD1 (0.75) ENTPD1TRPM2P2RY1
SCHEMBL21283084 0.83 ENTPD1 (0.77) ENTPD1TRPM2RNASELP2RY1
SCHEMBL16805436 0.83 ENTPD1 (0.77) ENTPD1TRPM2RNASELP2RY1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210386829-A1 COMPOSITIONS AND METHODS FOR MODULATING CGRP SIGNALING TO REGULATE INNATE LYMPHOID CELL INFLAMMATORY RESPONSES HOWARD HUGHES MEDICAL INSTITUTE 2021-12-16 — — US claimed
US-20210130438-A1 PAN-CANCER T CELL EXHAUSTION GENES MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2021-05-06 — — US claimed
US-20220002416-A1 COMPOSITIONS AND METHODS FOR MODULATING CANCER IMMUNE FITNESS UNIV COLUMBIA (US) 2022-01-06 — — US disclosed
WO-2021263247-A2 COMPOSITIONS AND METHODS FOR MODULATING CANCER IMMUNE FITNESS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-12-30 — — WO disclosed
US-20210386829-A1 COMPOSITIONS AND METHODS FOR MODULATING CGRP SIGNALING TO REGULATE INNATE LYMPHOID CELL INFLAMMATORY RESPONSES HOWARD HUGHES MEDICAL INSTITUTE 2021-12-16 — — US disclosed
US-20210130438-A1 PAN-CANCER T CELL EXHAUSTION GENES MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2021-05-06 — — US disclosed
US-10927410-B2 Compositions and methods for identification, assessment, prevention, and treatment of T-cell exhaustion using CD39 biomarkers and modulators DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-02-23 — — US disclosed
EP-3207063-B1 METHODS FOR IDENTIFICATION T-CELL EXHAUSTION USING CD39 BIOMARKERS AND MODULATORS DANA FARBER CANCER INST INC (US) 2020-12-02 — — EP disclosed
US-20200147210-A1 METHODS AND COMPOSITIONS OF USE OF CD8+ TUMOR INFILTRATING LYMPHOCYTE SUBTYPES AND GENE SIGNATURES THEREOF THE BROAD INSTITUTE, INC. 2020-05-14 — — US disclosed
EP-3207063-A2 COMPOSITIONS AND METHODS FOR IDENTIFICATION, ASSESSMENT, PREVENTION, AND TREATMENT OF T-CELL EXHAUSTION USING CD39 BIOMARKERS AND MODULATORS Dana-Farber Cancer Institute, Inc. (US) 2017-08-23 — — EP disclosed
US-20170233808-A1 COMPOSITIONS AND METHODS FOR IDENTIFICATION, ASSESSMENT, PREVENTION, AND TREATMENT OF T-CELL EXHAUSTION USING CD39 BIOMARKERS AND MODULATORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2017-08-17 — — US disclosed
WO-2016061456-A9 COMPOSITIONS AND METHODS FOR IDENTIFICATION, ASSESSMENT, PREVENTION, AND TREATMENT OF T-CELL EXHAUSTION USING CD39 BIOMARKERS AND MODULATORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-11-17 — — WO disclosed
WO-2016061456-A2 COMPOSITIONS AND METHODS FOR IDENTIFICATION, ASSESSMENT, PREVENTION, AND TREATMENT OF T-CELL EXHAUSTION USING CD39 BIOMARKERS AND MODULATORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-04-21 — — WO disclosed
EP-2019834-B1 ECTONUCLEOTIDASE INHIBITORS UNIV BONN (DE) 2014-07-09 — — EP disclosed
US-20100204182-A1 ECTONUCLEOTIDASE INHIBITORS RHEINISCHE FRIEDRICH-WILHELMS-UNIVERSITAT BONN (DE) 2010-08-12 — — US disclosed
EP-1860113-A1 Ectonucleotidase inhibitors Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2007-11-28 — — 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 (1 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-20100204182-A1 ECTONUCLEOTIDASE INHIBITORS NT5E, NT5C2, ENTPD1 ENTPD1 3/4885TRPM2 831/4885RNASEL 127/4885

“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.

Send feedback