SCHEMBL7516274

SCHEMBL7516274

Cc1ccc(C(=O)OC[C@H]2O[C@H](n3cnc4c(N)nc(Cl)nc43)C[C@@H]2OC(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
HTT P42858 1/20 0.52
PDE4D Q08499 1/20 0.52
PDE3A Q14432 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
NT5E P21589 7/20 0.50
ADORA3 P0DMS8 4/20 0.45
UPP1 Q16831 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA9 Q16790 1/20 0.43
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
P2RY1 P47900 1/20 0.41
CD99 P14209 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
SCHEMBL37272 0.93 PNP (0.54) PNPLMNATP53HTTPDE4D
SCHEMBL1219170 0.93 PNP (0.54) PNPLMNATP53HTTPDE4D
SCHEMBL37437 0.93 PNP (0.54) PNPLMNATP53HTTPDE4D
SCHEMBL9393705 0.92 LMNA (0.49) PNPLMNATP53HTTPDE4D
SCHEMBL6559406 0.92 LMNA (0.49) PNPLMNATP53HTTPDE4D
SCHEMBL6559404 0.92 LMNA (0.49) PNPLMNATP53HTTPDE4D
SCHEMBL7200818 0.92 LMNA (0.49) PNPLMNATP53HTTPDE4D
SCHEMBL7915780 0.89 UPP1 (0.44) PNPLMNATP53HTTPDE4D
SCHEMBL7915783 0.89 UPP1 (0.44) PNPLMNATP53HTTPDE4D
SCHEMBL9335172 0.87 ABCB1 (0.53) P2RY1

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-20020052491-A1 Method for the production of 2-chloro-2' -deoxyadenosine (cladribine) and its 3,5-di-O-p-toluoyl derivative GERSZBERG SZEPSEL (AR) 2002-05-02 US claimed
WO-2000064918-A1 METHOD FOR THE PRODUCTION OF 2-CHLORO-2'-DEOXYADENOSINE (CLADRIBINE) AND ITS 3,5-DI-O-p-TOLUOYL DERIVATIVE STERRENBELD BIOTECHNOLOGIE NORTH AMERICA, INC. (US) 2000-11-02 WO claimed

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-20020052491-A1 Method for the production of 2-chloro-2' -deoxyadenosine (cladribine) and its 3,5-di-O-p-toluoyl derivative MTAP, TPMT, DCTD PNP 4/4885LMNA 3828/4885TP53 2903/4885

“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.