SCHEMBL308252

SCHEMBL308252

CC(=O)[C@]1(O)O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
ALDH1A1 P00352 1/20 0.46
POLB P06746 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
KMT2A Q03164 1/20 0.42
ABCB1 P08183 9/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 1/20 0.40
GAPDH P04406 1/20 0.39
LGALS9 O00182 1/20 0.38
LGALS1 P09382 1/20 0.38
LGALS3 P17931 1/20 0.38
LGALS7; LGALS7B P47929 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA5 P30532 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38

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
SCHEMBL27514476 1.00 MAPT (0.53) MAPTALDH1A1POLBMEN1USP2
SCHEMBL7746169 1.00 MAPT (0.53) MAPTALDH1A1POLBMEN1USP2
SCHEMBL11075412 1.00 MAPT (0.53) MAPTALDH1A1POLBMEN1USP2
SCHEMBL308251 1.00 MAPT (0.53) MAPTALDH1A1POLBMEN1USP2
SCHEMBL28604390 0.85 MAPT (0.57) MAPTALDH1A1POLBMEN1USP2
SCHEMBL10182003 0.85 MAPT (0.50) MAPTALDH1A1POLBMEN1USP2
SCHEMBL4625578 0.85 MAPT (0.50) MAPTALDH1A1POLBMEN1USP2
SCHEMBL29090809 0.84 MAPT (0.52) MAPTALDH1A1POLBMEN1USP2
SCHEMBL8512700 0.83 MAPT (0.55) MAPTALDH1A1POLBMEN1USP2
SCHEMBL9137960 0.83 MAPT (0.55) MAPTALDH1A1POLBMEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093380-B2 Viricides, antitumor agents, anticancer agents PHARMASSET, INC. (US) 2012-01-10 US disclosed
US-20040082574-A1 Compounds with the bicyclo[4.2.1]nonane system for the treatment of flavivridae infections PHARMASSET, INC. 2004-04-29 US disclosed
EP-0708781-B1 A 3 ADENOSINE RECEPTOR AGONISTS USA (US) 2001-10-04 EP disclosed
US-5773423-A XANTHINE RIBOSIDES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1998-06-30 US disclosed
EP-0708781-A1 A 3 ADENOSINE RECEPTOR AGONISTS THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) 1996-05-01 EP disclosed
WO-1995002604-A1 A3 ADENOSINE RECEPTOR AGONISTS THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1995-01-26 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-20040082574-A1 Compounds with the bicyclo[4.2.1]nonane system for the treatment of flavivridae infections CYP4B1, HAVCR2, CYP2S1 MAPT 3805/4885ALDH1A1 1212/4885POLB 3590/4885

“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.