SCHEMBL12607438

SCHEMBL12607438

COC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C(C)(O)[C@H]1O)Oc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ TAS1R3 Q7RTX0 1/20 0.45
▸ TAS1R1 Q7RTX1 1/20 0.45
▸ HINT1 P49773 2/20 0.45
▸ TAAR1 Q96RJ0 1/20 0.44
▸ NT5E P21589 1/20 0.43
▸ TGM2 P21980 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ GSK3A P49840 1/20 0.41
▸ RPS6KA3 P51812 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ KRAS P01116 5/20 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
SCHEMBL14216817 1.00 CYP3A4 (0.51) CYP3A4CYP2C9TAS1R3TAS1R1HINT1
SCHEMBL14367295 1.00 CYP3A4 (0.51) CYP3A4CYP2C9TAS1R3TAS1R1HINT1
SCHEMBL14393309 1.00 CYP3A4 (0.51) CYP3A4CYP2C9TAS1R3TAS1R1HINT1
SCHEMBL12651147 1.00 CYP3A4 (0.51) CYP3A4CYP2C9TAS1R3TAS1R1HINT1
SCHEMBL15827782 1.00 CYP3A4 (0.51) CYP3A4CYP2C9TAS1R3TAS1R1HINT1
SCHEMBL2515727 0.95 CYP3A4 (0.58) CYP3A4CYP2C9TAS1R3TAS1R1HINT1
SCHEMBL2515730 0.95 CYP3A4 (0.58) CYP3A4CYP2C9TAS1R3TAS1R1HINT1
SCHEMBL12202924 0.95 CYP3A4 (0.58) CYP3A4CYP2C9TAS1R3TAS1R1HINT1
SCHEMBL2515734 0.95 CYP3A4 (0.58) CYP3A4CYP2C9TAS1R3TAS1R1HINT1
SCHEMBL19537317 0.95 CYP3A4 (0.58) CYP3A4CYP2C9TAS1R3TAS1R1HINT1

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-8658616-B2 Nucleoside aryl phosphoramidates and their use as anti-viral agents for the treatment of hepatitis C virus UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2014-02-25 — — US disclosed
US-20110124592-A1 NUCLEOSIDE ARYL PHOSPHORAMIDATES AND THEIR USE AS ANTI-VIRAL AGENTS FOR THE TREATMENT OF HEPATITUS C VIRUS K.U. LEUVEN RESEARCH AND DEVELOPMENT (BE) 2011-05-26 — — 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-20110124592-A1 NUCLEOSIDE ARYL PHOSPHORAMIDATES AND THEIR USE AS ANTI-VIRAL AGENTS FOR THE TREATMENT OF HEPATITUS C VIRUS PNP, NSUN2, MTAP CYP3A4 1686/4885CYP2C9 1508/4885TAS1R3 4118/4885

“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.

Send feedback