SCHEMBL16576342

SCHEMBL16576342

O=c1[nH]c(=S)ccn1[C@@H]1O[C@H](CO)C(O)[C@]1(F)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 2/20 0.43
PDE4D Q08499 1/20 0.43
PDE3A Q14432 1/20 0.43
P2RY6 Q15077 4/20 0.42
P2RY2 P41231 3/20 0.42
P2RY4 P51582 3/20 0.42
SLC28A1 O00337 1/20 0.42
SLC28A2 O43868 1/20 0.42
SLC28A3 Q9HAS3 1/20 0.42
P2RY14 Q15391 1/20 0.40
CDA P32320 6/20 0.40
POLA1 P09884 1/20 0.37
LMNA P02545 1/20 0.37
ALOX12 P18054 1/20 0.37
ADRA1A P35348 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL17972130 1.00 SLC29A1 (0.43) SLC29A1PDE4DPDE3AP2RY6P2RY2
SCHEMBL20427385 0.88 SLC29A1 (0.55) SLC29A1PDE4DPDE3AP2RY6P2RY2
SCHEMBL17972124 0.88 SLC29A1 (0.40) SLC29A1PDE4DPDE3AP2RY6P2RY2
SCHEMBL16576343 0.88 SLC29A1 (0.40) SLC29A1PDE4DPDE3AP2RY6P2RY2
SCHEMBL24371643 0.86 P2RY2 (0.42) SLC29A1PDE4DPDE3AP2RY6P2RY2
SCHEMBL17972174 0.86 P2RY2 (0.42) SLC29A1PDE4DPDE3AP2RY6P2RY2
SCHEMBL16575775 0.86 P2RY2 (0.42) SLC29A1PDE4DPDE3AP2RY6P2RY2
SCHEMBL18069637 0.86 P2RY2 (0.42) SLC29A1PDE4DPDE3AP2RY6P2RY2
SCHEMBL17972122 0.85 SLC29A1 (0.44) SLC29A1PDE4DPDE3AP2RY6P2RY2
SCHEMBL21418660 0.85 SLC29A1 (0.44) SLC29A1PDE4DPDE3AP2RY6P2RY2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160220595-A1 NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO DEFENSE THREAT REDUCTION AGENCY, US DOD 2016-08-04 US disclosed
WO-2015038596-A1 NUCLEOTIDE AND NUCLEOSIDE COMPOSITIONS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2015-03-19 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-20160220595-A1 NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO PNP, NTPCR, TYMP SLC29A1 15/4885PDE4D 1445/4885PDE3A 1333/4885

“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.