SCHEMBL3313773

SCHEMBL3313773

COc1ccc(C(OCC2OC(n3cnc4c(=O)[nH]c(NC(=O)C(C)C)nc43)C(OC)C2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TYMP P19971 12/20 0.60
TAS1R3 Q7RTX0 2/20 0.47
TAS1R1 Q7RTX1 2/20 0.47
KDM4E B2RXH2 1/20 0.43
NT5E P21589 1/20 0.43
HINT1 P49773 1/20 0.42
ADORA1 P30542 1/20 0.41
IMPDH2 P12268 1/20 0.41
IMPDH1 P20839 1/20 0.41

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
SCHEMBL1582054 1.00 TYMP (0.60) TYMPTAS1R3TAS1R1KDM4ENT5E
SCHEMBL30679321 0.97 TYMP (0.57) TYMPTAS1R3TAS1R1KDM4ENT5E
SCHEMBL7764877 0.95 TYMP (0.60) TYMPTAS1R3TAS1R1KDM4ENT5E
SCHEMBL21878043 0.95 TYMP (0.60) TYMPTAS1R3TAS1R1KDM4ENT5E
SCHEMBL31390209 0.94 TYMP (0.56) TYMPTAS1R3TAS1R1KDM4ENT5E
SCHEMBL21160996 0.94 TYMP (0.68) TYMPTAS1R3TAS1R1HINT1ADORA1
SCHEMBL21160998 0.94 TYMP (0.68) TYMPTAS1R3TAS1R1HINT1ADORA1
SCHEMBL18954966 0.94 TYMP (0.68) TYMPTAS1R3TAS1R1HINT1ADORA1
SCHEMBL18954969 0.94 TYMP (0.68) TYMPTAS1R3TAS1R1HINT1ADORA1
SCHEMBL19493329 0.94 TYMP (0.68) TYMPTAS1R3TAS1R1HINT1ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170296655-A1 Pharmaceutical targeting of a mammalian cyclic di-nucleotide signaling pathway BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-10-19 US disclosed
US-8324179-B2 Nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2012-12-04 US disclosed
US-20100104532-A1 NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2010-04-29 US disclosed
WO-2008100447-A2 NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2008-08-21 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 (2 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-20100104532-A1 NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT SLC29A1, NUDT1, EIF2AK2 TYMP 40/4885TAS1R3 4231/4885TAS1R1 3479/4885
US-20170296655-A1 Pharmaceutical targeting of a mammalian cyclic di-nucleotide signaling pathway CGAS, PDE11A, MAVS TYMP 688/4885TAS1R3 3270/4885TAS1R1 3268/4885

“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.