SCHEMBL10148624

SCHEMBL10148624

CCOC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@](C#N)(c2ccc3c(C)ncnn23)[C@](C)(F)[C@@H]1O)Oc1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ BTN3A1 O00481 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
SCHEMBL27351037 0.94 CYP3A4 (0.33) CYP3A4CYP2C9
SCHEMBL31659019 0.94 CYP3A4 (0.33) CYP3A4CYP2C9
SCHEMBL10149559 0.94 CYP3A4 (0.33) CYP3A4CYP2C9
SCHEMBL12397073 0.92 BTN3A1 (0.31) BTN3A1
SCHEMBL10148602 0.90 CYP3A4 (0.42) CYP3A4CYP2C9BTN3A1
SCHEMBL10142621 0.88 BTN3A1 (0.31) CYP3A4CYP2C9BTN3A1
SCHEMBL15340439 0.88 BTN3A1 (0.31) CYP3A4CYP2C9BTN3A1
SCHEMBL10148603 0.85 CYP3A4 (0.48) CYP3A4CYP2C9BTN3A1
SCHEMBL10142390 0.84 CYP3A4 (0.32) CYP3A4CYP2C9BTN3A1
SCHEMBL10148614 0.84 CYP3A4 (0.37) 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 3 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-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 CYP3A4 355/4885CYP2C9 770/4885BTN3A1 4068/4885
US-20110070194-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, RNGTT, SLC29A1 CYP3A4 426/4885CYP2C9 872/4885BTN3A1 4078/4885

“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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