SCHEMBL15045975

SCHEMBL15045975

COC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.54
CYP2C9 P11712 2/20 0.54
P2RY2 P41231 9/20 0.53
P2RY4 P51582 5/20 0.53
POLA1 P09884 1/20 0.52
SLC28A1 O00337 1/20 0.44
SLC28A2 O43868 1/20 0.44
SLC29A1 Q99808 1/20 0.44
SLC28A3 Q9HAS3 1/20 0.44
P2RY14 Q15391 3/20 0.43
P2RY6 Q15077 6/20 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
SCHEMBL19312343 1.00 CYP3A4 (0.54) CYP3A4CYP2C9P2RY2P2RY4POLA1
SCHEMBL381881 0.89 POLA1 (0.53) CYP3A4CYP2C9P2RY2P2RY4POLA1
SCHEMBL15045865 0.89 CYP3A4 (0.55) CYP3A4CYP2C9P2RY2P2RY4POLA1
SCHEMBL20841228 0.89 CYP3A4 (0.53) CYP3A4CYP2C9P2RY2P2RY4POLA1
SCHEMBL16125301 0.88 CYP3A4 (0.58) CYP3A4CYP2C9P2RY2P2RY4POLA1
SCHEMBL18538081 0.88 P2RY2 (0.56) CYP3A4CYP2C9P2RY2P2RY4POLA1
SCHEMBL767728 0.87 P2RY2 (0.46) CYP3A4CYP2C9P2RY2P2RY4POLA1
SCHEMBL21755900 0.87 P2RY2 (0.46) CYP3A4CYP2C9P2RY2P2RY4POLA1
SCHEMBL15045907 0.87 P2RY2 (0.68) CYP3A4CYP2C9P2RY2P2RY4POLA1
SCHEMBL24371645 0.87 SLC29A1 (0.56) CYP3A4CYP2C9P2RY2P2RY4POLA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624249-B2 Nucleoside kinase bypass compositions and methods MERCK SHARP & DOHME CORP. (US) 2017-04-18 US disclosed
US-20160129122-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2016-05-12 US disclosed
US-20150315221-A1 NUCLEOSIDE KINASE BYPASS COMPOSITIONS AND METHODS MERCK SHARP & DOHME CORP. (US) 2015-11-05 US disclosed
EP-2552930-B1 CRYSTALLINE (S)-ISOPROPYL 2-(((S)-(((2R,3R,4R,5R)-5-(2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1-(2H)-YL)-4-FLUORO-3-HYDROXY-4-METHYLTETRAHYDROFURAN-2-YL)METHOXY)(PHENOXY)PHOSPHORYL)AMINO)PROPANOATE GILEAD PHARMASSET LLC (US) 2015-08-26 EP disclosed
WO-2014197400-A1 PREVENTING AND TREATING RECURRENCE OF HCV INFECTION AFTER LIVER TRANSPLANT GILEAD PHARMASSET LLC (US) 2014-12-11 WO disclosed
US-20140288025-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2014-09-25 US disclosed
WO-2014088923-A1 NUCLEOSIDE KINASE BYPASS COMPOSITIONS AND METHODS MERCK SHARP & DOHME CORP. (US) 2014-06-12 WO disclosed
US-20130244966-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2013-09-19 US disclosed
WO-2013090420-A2 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2013-06-20 WO 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 (4 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-20130244966-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES FABP1, FABP2, HAVCR2 CYP3A4 2263/4885CYP2C9 3257/4885P2RY2 3430/4885
US-20140288025-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES FABP1, FABP2, HAVCR2 CYP3A4 2263/4885CYP2C9 3257/4885P2RY2 3430/4885
US-20150315221-A1 NUCLEOSIDE KINASE BYPASS COMPOSITIONS AND METHODS DCK, DTYMK, TK1 CYP3A4 1852/4885CYP2C9 1275/4885P2RY2 1681/4885
US-20160129122-A1 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES FABP1, FABP2, HAVCR2 CYP3A4 2263/4885CYP2C9 3257/4885P2RY2 3430/4885

“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.