SCHEMBL260047

SCHEMBL260047

CCC1(OCc2ccccc2)C(O)OC(COCc2ccccc2)C1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 3/20 0.39
PDE4D Q08499 1/20 0.39
SLC6A2 P23975 1/20 0.36
HTT P42858 1/20 0.36
HTR1A P08908 1/20 0.36
NT5E P21589 1/20 0.36
GJB2 P29033 2/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SSTR1 P30872 1/20 0.34
SSTR2 P30874 1/20 0.34
SSTR4 P31391 1/20 0.34
SSTR3 P32745 1/20 0.34
SSTR5 P35346 1/20 0.34
PTPN1 P18031 2/20 0.34
CDC25B P30305 2/20 0.34

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
SCHEMBL259422 0.84 SSTR1 (0.38) TACR2PDE4DHTTHTR1ANT5E
SCHEMBL3174043 0.82 PDE4D (0.40) TACR2PDE4DSLC6A2HTTHTR1A
SCHEMBL259838 0.82 PDE4D (0.40) TACR2PDE4DSLC6A2HTTHTR1A
SCHEMBL13695333 0.82 PDE4D (0.40) TACR2PDE4DSLC6A2HTTHTR1A
SCHEMBL16756812 0.82 PDE4D (0.40) TACR2PDE4DSLC6A2HTTHTR1A
SCHEMBL264608 0.81 HTR1A (0.35) TACR2PDE4DHTTHTR1ANT5E
SCHEMBL259089 0.81 HTR1A (0.35) TACR2PDE4DHTTHTR1ANT5E
SCHEMBL8655409 0.80 HTR1A (0.43) TACR2HTR1ANT5EGJB2SSTR1
SCHEMBL5403031 0.79 HTR1A (0.40) TACR2PDE4DHTR1ANT5EGJB2
SCHEMBL5397720 0.79 HTR1A (0.40) TACR2PDE4DHTR1ANT5EGJB2

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 7 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-1814561-A2 THERAPEUTIC FUROPYRIMIDINES AND THIENOPYRIMIDINES Biocryst Pharmaceuticals, Inc. (US) 2007-08-08 EP 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 TACR2 4788/4885PDE4D 2578/4885SLC6A2 4460/4885
US-20060165655-A1 Therapeutic furopyrimidines and thienopyrimidines DPYD, TYMP, TYMS TACR2 4788/4885PDE4D 2578/4885SLC6A2 4460/4885
US-20120213735-A1 THERAPEUTIC FUROPYRIMIDINES AND THIENOPYRIMIDINES DPYD, TYMP, TYMS TACR2 4788/4885PDE4D 2578/4885SLC6A2 4460/4885

“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.