SCHEMBL13530212

SCHEMBL13530212

NC(=O)c1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.62
HTT P42858 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
ALDH1A1 P00352 1/20 0.62
GAA P10253 1/20 0.62
BLM P54132 1/20 0.62
TSHR P16473 1/20 0.62
ADRB1 P08588 1/20 0.58
DNMT1 P26358 1/20 0.58
PIM1 P11309 1/20 0.52
CSNK2A2 P19784 1/20 0.52
CSNK2B P67870 1/20 0.52
CSNK2A1 P68400 1/20 0.52
CSNK2A3 Q8NEV1 1/20 0.52
TP53 P04637 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
PNP P00491 1/20 0.50
LMNA P02545 1/20 0.50
PDE4D Q08499 1/20 0.50
PDE3A Q14432 1/20 0.50

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
SCHEMBL7945679 0.88 TP53 (0.62) KDM4EHTTSMN1; SMN2ALDH1A1GAA
SCHEMBL21887933 0.84 ATIC (0.57) KDM4EHTTSMN1; SMN2ALDH1A1GAA
SCHEMBL9698406 0.83 ADRB1 (0.54) KDM4EHTTSMN1; SMN2ALDH1A1GAA
SCHEMBL13531146 0.81 KDM4E (0.48) KDM4EHTTSMN1; SMN2ALDH1A1GAA
SCHEMBL7215454 0.78 ADRB1 (0.53) HTTSMN1; SMN2TSHRADRB1DNMT1
SCHEMBL6380096 0.78 ADRB1 (0.53) HTTSMN1; SMN2TSHRADRB1DNMT1
SCHEMBL28758565 0.78 SMN1; SMN2 (0.51) KDM4EHTTSMN1; SMN2ALDH1A1GAA
SCHEMBL6896687 0.78 ADRB1 (0.58) KDM4EHTTSMN1; SMN2ADRB1DNMT1
SCHEMBL20419818 0.78 SMN1; SMN2 (0.62) KDM4EHTTSMN1; SMN2ALDH1A1GAA
SCHEMBL12228622 0.77 ALDH1A1 (0.55) KDM4EHTTSMN1; SMN2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018134399-A1 NOVEL PRODRUGS OF MIZORIBINE KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2018-07-26 WO disclosed
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 US disclosed
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 US disclosed
US-20090227543-A1 PHOSPHONATE COMPOUNDS HAVING IMMUNO-MODULATORY ACTIVITY CANNIZZARO CARINA 2009-09-10 US disclosed
US-7470724-B2 Phosphonate compounds having immuno-modulatory activity GILEAD SCIENCES, INC. (US) 2008-12-30 US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 US disclosed
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 US disclosed
US-7427636-B2 Inosine monophosphate dehydrogenase inhibitory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-09-23 US 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-20090227543-A1 PHOSPHONATE COMPOUNDS HAVING IMMUNO-MODULATORY ACTIVITY PHOSPHO1, NFATC1, IFNG KDM4E 3404/4885HTT 3145/4885SMN1; SMN2 3879/4885
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES KDM4E 4225/4885HTT 3059/4885SMN1; SMN2 4186/4885
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN KDM4E 1893/4885HTT 4035/4885SMN1; SMN2 3947/4885

“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.