SCHEMBL16486193

SCHEMBL16486193

CC(C)OC(=O)OCO[P@@](=O)(COC(C)Cn1cnc2c(N)ncnc21)OCOC(=O)O

nearest known ligand 0.93

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FAP Q12884 3/20 0.93
CYP3A4 P08684 14/20 0.61
CYP2D6 P10635 14/20 0.54
ABCB11 O95342 1/20 0.51
POLA1 P09884 1/20 0.51
POLG P54098 1/20 0.51
SLC22A6 Q4U2R8 1/20 0.51

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
SCHEMBL17214384 1.00 FAP (0.93) FAPCYP3A4CYP2D6ABCB11POLA1
Tenofovir Disoproxil SCHEMBL18907027 0.96 FAP (1.00) FAPCYP3A4CYP2D6ABCB11POLA1
Tenofovir Disoproxil SCHEMBL29376425 0.96 FAP (1.00) FAPCYP3A4CYP2D6ABCB11POLA1
Tenofovir Disoproxil SCHEMBL497677 0.96 FAP (1.00) FAPCYP3A4CYP2D6ABCB11POLA1
Tenofovir Disoproxil SCHEMBL52793 0.96 FAP (1.00) FAPCYP3A4CYP2D6ABCB11POLA1
Tenofovir Disoproxil SCHEMBL20421896 0.96 FAP (0.95) FAPCYP3A4CYP2D6ABCB11POLA1
Tenofovir Disoproxil SCHEMBL983652 0.96 FAP (0.95) FAPCYP3A4CYP2D6ABCB11POLA1
Tenofovir Disoproxil SCHEMBL19031793 0.96 FAP (0.98) FAPCYP3A4CYP2D6ABCB11POLA1
Tenofovir Disoproxil SCHEMBL15241296 0.95 FAP (0.96) FAPCYP3A4CYP2D6
Tenofovir Disoproxil SCHEMBL16628582 0.94 FAP (0.92) FAPCYP3A4CYP2D6ABCB11POLA1

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-20160184332-A1 MEDICAMENT COMPRISING A PHARMACEUTICAL COMBINATION OF DRUGS RATIOPHARM GMBH (DE) 2016-06-30 US disclosed
EP-3033084-A1 MEDICAMENT COMPRISING A PHARMACEUTICAL COMBINATION OF DOLUTEGRAVIR, EMTRICITABINE AND TENOFOVIR ratiopharm GmbH (DE) 2016-06-22 EP disclosed
WO-2015022351-A1 MEDICAMENT COMPRISING A PHARMACEUTICAL COMBINATION OF DOLUTEGRAVIR, EMTRICITABINE AND TENOFOVIR RATIOPHARM GMBH (DE) 2015-02-19 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 (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-20160184332-A1 MEDICAMENT COMPRISING A PHARMACEUTICAL COMBINATION OF DRUGS TYMP, TYMS, ABCB1 FAP 735/4885CYP3A4 30/4885CYP2D6 92/4885

“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.