SCHEMBL9106311

SCHEMBL9106311

COC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@]2(CCCO2)[C@@H]1O)Oc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.69
CYP2C9 P11712 2/20 0.69
P2RY2 P41231 4/20 0.42
P2RY6 Q15077 3/20 0.42
P2RY14 Q15391 3/20 0.42
P2RY4 P51582 2/20 0.41
POLA1 P09884 1/20 0.39
BTN3A1 O00481 1/20 0.39
TYMS P04818 1/20 0.38
DUT P33316 1/20 0.36
P2RY12 Q9H244 2/20 0.35

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
SCHEMBL9909473 1.00 CYP3A4 (0.69) CYP3A4CYP2C9P2RY2P2RY6P2RY14
SCHEMBL9909521 1.00 CYP3A4 (0.69) CYP3A4CYP2C9P2RY2P2RY6P2RY14
SCHEMBL9104825 1.00 CYP3A4 (0.69) CYP3A4CYP2C9P2RY2P2RY6P2RY14
SCHEMBL9106317 1.00 CYP3A4 (0.69) CYP3A4CYP2C9P2RY2P2RY6P2RY14
SCHEMBL9104831 1.00 CYP3A4 (0.69) CYP3A4CYP2C9P2RY2P2RY6P2RY14
SCHEMBL9102628 0.97 CYP3A4 (0.71) CYP3A4CYP2C9P2RY2P2RY6P2RY14
SCHEMBL10239235 0.97 CYP3A4 (0.71) CYP3A4CYP2C9P2RY2P2RY6P2RY14
SCHEMBL9103804 0.97 CYP3A4 (0.71) CYP3A4CYP2C9P2RY2P2RY6P2RY14
SCHEMBL9909467 0.97 CYP3A4 (0.71) CYP3A4CYP2C9P2RY2P2RY6P2RY14
SCHEMBL9102634 0.97 CYP3A4 (0.71) CYP3A4CYP2C9P2RY2P2RY6P2RY14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3042910-B1 2'-SPIRO-NUCLEOSIDES FOR USE IN THE THERAPY OF HEPATITIS C GILEAD PHARMASSET LLC (US) 2019-01-09 EP disclosed
US-9394331-B2 2′-spiro-nucleosides and derivatives thereof useful for treating hepatitis C virus and dengue virus infections GILEAD PHARMASSET LLC (US) 2016-07-19 US disclosed
US-8841275-B2 2′-spiro-nucleosides and derivatives thereof useful for treating hepatitis C virus and dengue virus infections GILEAD PHARMASSET LLC (US) 2014-09-23 US disclosed
EP-2646453-A1 COMPOUNDS Gilead Pharmasset LLC (US) 2013-10-09 EP disclosed
WO-2012075140-A1 COMPOUNDS PHARMASSET, INC. (US) 2012-06-07 WO disclosed
US-20120142626-A1 COMPOUNDS PHARMASSET, INC. (US) 2012-06-07 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-20120142626-A1 COMPOUNDS HAVCR2, EIF2AK2, NTPCR CYP3A4 835/4885CYP2C9 1676/4885P2RY2 771/4885

“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.