SCHEMBL10148634

SCHEMBL10148634

CCOC(=O)[C@H](Cc1ccccc1)NP(=O)(OC[C@H]1O[C@@](C#N)(c2ccc3c(C)ncnn23)[C@](C)(F)[C@@H]1O)Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ HPRT1 P00492 1/20 0.33
▸ TYMS P04818 1/20 0.32
▸ TP53 P04637 1/20 0.30
▸ EGFR P00533 1/20 0.30

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
SCHEMBL12833399 0.94 CYP3A4 (0.34) ALDH1A1CYP3A4CYP2C9HPRT1TYMS
SCHEMBL12465034 0.94 CYP3A4 (0.34) ALDH1A1CYP3A4CYP2C9HPRT1TYMS
SCHEMBL10149581 0.94 CYP3A4 (0.34) ALDH1A1CYP3A4CYP2C9HPRT1TYMS
SCHEMBL10148602 0.91 CYP3A4 (0.42) CYP3A4CYP2C9
SCHEMBL10148618 0.91 CYP3A4 (0.34) CYP3A4CYP2C9
SCHEMBL10148635 0.90 CYP3A4 (0.34) CYP3A4CYP2C9
SCHEMBL10148614 0.90 CYP3A4 (0.37) CYP3A4CYP2C9
SCHEMBL10148613 0.89 MAPT (0.38) CYP3A4CYP2C9TP53EGFR
SCHEMBL10148620 0.88 CYP3A4 (0.33) CYP3A4CYP2C9
SCHEMBL10148603 0.87 CYP3A4 (0.48) CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455451-B2 2'-fluoro substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2013-06-04 — — US disclosed
US-20120009147-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-01-12 — — US disclosed
US-7973013-B2 2'-fluoro substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2011-07-05 — — US disclosed
US-20110070194-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2011-03-24 — — 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-20120009147-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, NSUN2, CDA ALDH1A1 1783/4885CYP3A4 355/4885CYP2C9 770/4885
US-20110070194-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, RNGTT, SLC29A1 ALDH1A1 1619/4885CYP3A4 426/4885CYP2C9 872/4885

“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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