SCHEMBL15828302

SCHEMBL15828302

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

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.47
▸ TGM2 P21980 1/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.44
▸ KRAS P01116 9/20 0.44
▸ FUT5 Q11128 1/20 0.43
▸ HINT1 P49773 4/20 0.43
▸ TAS1R3 Q7RTX0 1/20 0.43
▸ TAS1R1 Q7RTX1 1/20 0.43

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
SCHEMBL15828297 1.00 NT5E (0.47) NT5ETGM2TAAR1KRASFUT5
SCHEMBL15828299 0.86 NT5E (0.40) NT5ETGM2TAAR1KRASFUT5
SCHEMBL15828304 0.86 NT5E (0.40) NT5ETGM2TAAR1KRASFUT5
SCHEMBL15828230 0.81 TGM2 (0.55) NT5ETGM2KRASFUT5
SCHEMBL15828308 0.81 TGM2 (0.55) NT5ETGM2KRASFUT5
SCHEMBL18519797 0.80 HINT1 (0.49) NT5ETGM2TAAR1HINT1
SCHEMBL18490509 0.78 ADORA3 (0.57) NT5ETGM2TAAR1HINT1
SCHEMBL15828241 0.78 CYP3A4 (0.47) NT5ETGM2TAAR1KRASHINT1
SCHEMBL15828311 0.78 CYP3A4 (0.47) NT5ETGM2TAAR1KRASHINT1
SCHEMBL15828243 0.78 CYP3A4 (0.47) NT5ETGM2TAAR1KRASHINT1

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-20160002281-A1 D-AMINO ACID COMPOUNDS FOR LIVER DISEASE UNIVERSITE DE MONTPELLIER (FR) 2016-01-07 — — US disclosed
US-9211300-B2 4′-fluoro nucleosides for the treatment of HCV IDENIX PHARMACEUTICALS LLC (US) 2015-12-15 — — US disclosed
US-20140178338-A1 4'-FLUORO NUCLOSIDES FOR THE TREATMENT OF HCV UNIVERSITE DE MONTPELLIER (FR) 2014-06-26 — — 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 (2 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-20160002281-A1 D-AMINO ACID COMPOUNDS FOR LIVER DISEASE AADAT, BCAT1, BCAT2 NT5E 673/4885TGM2 78/4885TAAR1 2403/4885
US-20140178338-A1 4'-FLUORO NUCLOSIDES FOR THE TREATMENT OF HCV FBL, HNRNPLL, SLC28A1 NT5E 392/4885TGM2 2874/4885TAAR1 2325/4885

“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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