SCHEMBL3741969

SCHEMBL3741969

C=CC1OC(C)(C)OC1C(=O)CC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PGD P52209 1/20 0.31

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
SCHEMBL3741967 1.00 MAPK1 (0.33) MAPK1NPSR1PGD
SCHEMBL12745739 0.83 MAPK1 (0.31) MAPK1NPSR1
SCHEMBL12826667 0.83 MAPK1 (0.31) MAPK1NPSR1
SCHEMBL18658564 0.83 MAPK1 (0.31) MAPK1NPSR1
SCHEMBL18658547 0.82 MAPK1 (0.34) MAPK1NPSR1
SCHEMBL9305518 0.82 MAPK1 (0.34) MAPK1NPSR1
SCHEMBL13077136 0.81
SCHEMBL13077137 0.81
SCHEMBL18658551 0.81 MAPK1 (0.30) MAPK1NPSR1
SCHEMBL18658561 0.81 MAPK1 (0.30) MAPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825126-B2 Purine derivatives as A3 and A1 adenosine receptor agonists THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-11-02 US disclosed
US-20070232626-A1 Purine Derivatives as A3 and A1 Adenosine Receptor Agonists GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPT OF HEALTH AND H (MD) 2007-10-04 US disclosed
EP-1794162-A1 PURINE DERIVATIVES AS A3 AND A1 ADENOSINE RECEPTOR AGONISTS The Government of the United States of America, as repres. by the Secretary of Health and Human Services, Nat. Inst. of Health (US) 2007-06-13 EP disclosed
WO-2006091905-A1 BICYCLO (3.1.0) HEXANE DERIVATIVES AS ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-08-31 WO disclosed
WO-2006031505-A1 PURINE DERIVATIVES AS A3 AND A1 ADENOSINE RECEPTOR AGONISTS GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2006-03-23 WO 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-20070232626-A1 Purine Derivatives as A3 and A1 Adenosine Receptor Agonists ADORA1, ADORA3, ADORA2A MAPK1 1309/4885NPSR1 360/4885PGD 1833/4885

“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.