SCHEMBL12300422

SCHEMBL12300422

CO[C@@H]1C(O)[C@@H](OCP(=O)(O)O)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.56
▸ HPRT1 P00492 4/20 0.56
▸ TGM2 P21980 1/20 0.51
▸ HINT1 P49773 3/20 0.50
▸ TAS1R3 Q7RTX0 1/20 0.50
▸ TAS1R1 Q7RTX1 1/20 0.50
▸ FUT5 Q11128 1/20 0.48
▸ IMPDH2 P12268 1/20 0.47
▸ IMPDH1 P20839 1/20 0.47
▸ STING1 Q86WV6 2/20 0.47
▸ KRAS P01116 3/20 0.47
▸ HPGD P15428 1/20 0.46
▸ GSK3A P49840 1/20 0.46
▸ RPS6KA3 P51812 1/20 0.46
▸ MAPK14 Q16539 1/20 0.46

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
SCHEMBL12300425 0.90 HPRT1 (0.55) NT5EHPRT1TGM2HINT1TAS1R3
SCHEMBL8897427 0.89 NT5E (0.65) NT5EHPRT1TGM2HINT1FUT5
SCHEMBL12300464 0.87 NT5E (0.58) NT5EHPRT1TGM2HINT1FUT5
SCHEMBL21057089 0.86 NT5E (0.61) NT5EHPRT1TGM2HINT1FUT5
SCHEMBL12300513 0.84 NT5E (0.55) NT5EHINT1
SCHEMBL16409710 0.84 NT5E (0.55) NT5EHINT1
SCHEMBL12300444 0.84 HPRT1 (0.40) NT5EHPRT1TGM2TAS1R3TAS1R1
SCHEMBL12300460 0.84 NT5E (0.59) NT5EHPRT1TGM2HINT1FUT5
SCHEMBL21128140 0.84 NT5E (0.57) NT5EHPRT1TGM2HINT1FUT5
SCHEMBL21128395 0.84 NT5E (0.57) NT5EHPRT1TGM2HINT1FUT5

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-8022083-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2011-09-20 — — US disclosed
US-20090275535-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. 2009-11-05 — — US disclosed
US-7429565-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-09-30 — — 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 (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-20090275535-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP NT5E 203/4885HPRT1 106/4885TGM2 2160/4885

“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.

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