SCHEMBL14659957

SCHEMBL14659957

COP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C(O)C1O

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.77
TGM2 P21980 1/20 0.77
FUT5 Q11128 1/20 0.71
KRAS P01116 6/20 0.69
IMPDH2 P12268 5/20 0.69
IMPDH1 P20839 1/20 0.69
HINT1 P49773 1/20 0.67
P2RX3 P56373 1/20 0.64
DCPS Q96C86 1/20 0.64
TAS1R3 Q7RTX0 1/20 0.63
TAS1R1 Q7RTX1 1/20 0.63
P2RY2 P41231 1/20 0.63
P2RY4 P51582 1/20 0.63
P2RY6 Q15077 1/20 0.63

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
SCHEMBL18258303 1.00 NT5E (0.77) NT5ETGM2FUT5KRASIMPDH2
SCHEMBL29160869 1.00 NT5E (0.77) NT5ETGM2FUT5KRASIMPDH2
SCHEMBL2166452 0.96 TGM2 (0.79) NT5ETGM2FUT5KRASIMPDH2
SCHEMBL6430315 0.96 TGM2 (0.79) NT5ETGM2FUT5KRASIMPDH2
SCHEMBL8202050 0.94 NT5E (0.83) NT5ETGM2FUT5KRASIMPDH2
SCHEMBL21413953 0.94 NT5E (0.70) NT5ETGM2FUT5KRASIMPDH2
SCHEMBL21171620 0.93 NT5E (0.68) NT5ETGM2FUT5KRASIMPDH2
SCHEMBL21067722 0.93 TGM2 (0.85) NT5ETGM2FUT5KRASIMPDH2
SCHEMBL18769114 0.93 TGM2 (0.85) NT5ETGM2FUT5KRASIMPDH2
SCHEMBL851357 0.93 TGM2 (0.85) NT5ETGM2FUT5KRASIMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160206678-A1 HCV COMBINATION THERAPY BOEHRINGER INGELHEIM INT (DE) 2016-07-21 US disclosed
US-20150164884-A1 HCV COMBINATION THERAPY BOEHRINGER INGELHEIM INT (DE) 2015-06-18 US disclosed
US-20130029904-A1 HCV COMBINATION THERAPY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 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-20150164884-A1 HCV COMBINATION THERAPY HAVCR2, ZC3HAV1, SLC10A1 NT5E 4198/4885TGM2 422/4885FUT5 2358/4885
US-20160206678-A1 HCV COMBINATION THERAPY HAVCR2, ZC3HAV1, SLC10A1 NT5E 4198/4885TGM2 422/4885FUT5 2358/4885
US-20130029904-A1 HCV COMBINATION THERAPY HAVCR2, ZC3HAV1, SLC10A1 NT5E 4046/4885TGM2 580/4885FUT5 2275/4885

“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.