SCHEMBL259838

SCHEMBL259838

CC1(OCc2ccccc2)C(O)OC(COCc2ccccc2)C1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.40
NT5E P21589 1/20 0.39
TACR2 P21452 3/20 0.38
SLC6A2 P23975 1/20 0.38
HTR1A P08908 1/20 0.37
GJB2 P29033 2/20 0.37
IDO1 P14902 1/20 0.36
SSTR1 P30872 1/20 0.35
SSTR2 P30874 1/20 0.35
SSTR4 P31391 1/20 0.35
SSTR3 P32745 1/20 0.35
SSTR5 P35346 1/20 0.35
PTPN1 P18031 2/20 0.35
CDC25B P30305 2/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
GRM2 Q14416 1/20 0.35
GRM3 Q14832 1/20 0.35
HTT P42858 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL13695333 1.00 PDE4D (0.40) PDE4DNT5ETACR2SLC6A2HTR1A
SCHEMBL16756812 1.00 PDE4D (0.40) PDE4DNT5ETACR2SLC6A2HTR1A
SCHEMBL3174043 1.00 PDE4D (0.40) PDE4DNT5ETACR2SLC6A2HTR1A
SCHEMBL13650055 0.87 HTR1A (0.38) PDE4DNT5ETACR2SLC6A2HTR1A
SCHEMBL14453213 0.87 HTR1A (0.38) PDE4DNT5ETACR2SLC6A2HTR1A
SCHEMBL10082717 0.84 SSTR1 (0.39) PDE4DNT5ETACR2HTR1AGJB2
SCHEMBL16756862 0.84 SSTR1 (0.39) PDE4DNT5ETACR2HTR1AGJB2
SCHEMBL19020173 0.84 SSTR1 (0.39) PDE4DNT5ETACR2HTR1AGJB2
SCHEMBL260047 0.82 TACR2 (0.39) PDE4DNT5ETACR2SLC6A2HTR1A
SCHEMBL264359 0.82 NT5E (0.38) PDE4DNT5ETACR2SLC6A2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120213735-A1 THERAPEUTIC FUROPYRIMIDINES AND THIENOPYRIMIDINES BIOCRYST PHARMACEUTICALS, INC. (US) 2012-08-23 US disclosed
US-8133870-B2 Therapeutic furopyrimidines and thienopyrimidines BIOCRYST PHARMACEUTICALS, INC. (US) 2012-03-13 US disclosed
US-20080300200-A1 Therapeutic Furopyrimidines and Thienopyrimidines BIOCRYST PHARMACEUTICALS, INC. (US) 2008-12-04 US disclosed
US-7429571-B2 Therapeutic furopyrimidines and thienopyrimidines BIOCRYST PHARMACEUTICALS, INC. (US) 2008-09-30 US disclosed
EP-1893625-A2 METHODS FOR THE PREPARATION OF 9-DEAZAPURINE DERIVATIVES Biocryst Pharmaceuticals, Inc. (US) 2008-03-05 EP disclosed
EP-1814561-A2 THERAPEUTIC FUROPYRIMIDINES AND THIENOPYRIMIDINES Biocryst Pharmaceuticals, Inc. (US) 2007-08-08 EP disclosed
WO-2007002191-A2 METHODS FOR THE PREPARATION OF 9-DEAZAPURINE DERIVATIVES BIOCRYST PHARMACEUTICALS, INC. (US) 2007-01-04 WO disclosed
US-20060165655-A1 Therapeutic furopyrimidines and thienopyrimidines WILMINGTON TRUST, NATIONAL ASSOCIATION 2006-07-27 US disclosed
WO-2006050161-A2 THERAPEUTIC FUROPYRIMIDINES AND THIENOPYRIMIDINES BIOCRYST PHARMACEUTICALS, INC. (US) 2006-05-11 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 (3 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-20080300200-A1 Therapeutic Furopyrimidines and Thienopyrimidines DPYD, TYMP, TYMS PDE4D 2578/4885NT5E 170/4885TACR2 4788/4885
US-20060165655-A1 Therapeutic furopyrimidines and thienopyrimidines DPYD, TYMP, TYMS PDE4D 2578/4885NT5E 170/4885TACR2 4788/4885
US-20120213735-A1 THERAPEUTIC FUROPYRIMIDINES AND THIENOPYRIMIDINES DPYD, TYMP, TYMS PDE4D 2578/4885NT5E 170/4885TACR2 4788/4885

“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.