SCHEMBL16436019

SCHEMBL16436019

CC(C)OC(=O)[C@@H](C)NP(=O)(OC[C@H]1O[C@@H](n2cc(Br)c(N)nc2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.69
CYP2C9 P11712 2/20 0.69
BTN3A1 O00481 6/20 0.41
POLA1 P09884 2/20 0.38
NT5E P21589 1/20 0.33
P2RY6 Q15077 1/20 0.33

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
SCHEMBL17620201 1.00 CYP3A4 (0.69) CYP3A4CYP2C9BTN3A1POLA1NT5E
SCHEMBL16436021 1.00 CYP3A4 (0.69) CYP3A4CYP2C9BTN3A1POLA1NT5E
SCHEMBL17620198 1.00 CYP3A4 (0.69) CYP3A4CYP2C9BTN3A1POLA1NT5E
SCHEMBL16436020 1.00 CYP3A4 (0.69) CYP3A4CYP2C9BTN3A1POLA1NT5E
SCHEMBL16435964 0.94 CYP3A4 (0.69) CYP3A4CYP2C9BTN3A1POLA1NT5E
SCHEMBL19026885 0.94 CYP3A4 (0.69) CYP3A4CYP2C9BTN3A1POLA1NT5E
SCHEMBL16435967 0.94 CYP3A4 (0.69) CYP3A4CYP2C9BTN3A1POLA1NT5E
SCHEMBL19026878 0.94 CYP3A4 (0.69) CYP3A4CYP2C9BTN3A1POLA1NT5E
SCHEMBL17620231 0.94 CYP3A4 (0.69) CYP3A4CYP2C9BTN3A1POLA1NT5E
SCHEMBL19026893 0.94 CYP3A4 (0.69) CYP3A4CYP2C9BTN3A1POLA1NT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3027636-B1 D-AMINO ACID PHOSPHORAMIDATE PRONUCLEOTIDES OF HALOGENO PYRIMIDINE COMPOUNDS FOR LIVER DISEASE IDENIX PHARMACEUTICALS LLC (US) 2022-01-05 EP disclosed
US-20160082030-A1 D-AMINO ACID PHOSPHORAMIDATE PRONUCLEOTIDES OF HALOGENO PYRIMIDINE COMPOUNDS FOR LIVER DISEASE UNIVERSITE DE MONTPELLIER (FR) 2016-03-24 US disclosed
US-20150037282-A1 D-AMINO ACID PHOSPHORAMIDATE PRONUCLEOTIDES OF HALOGENO PYRIMIDINE COMPOUNDS FOR LIVER DISEASE IDENIX PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-20150037282-A1 D-AMINO ACID PHOSPHORAMIDATE PRONUCLEOTIDES OF HALOGENO PYRIMIDINE COMPOUNDS FOR LIVER DISEASE IDENIX PHARMACEUTICALS, INC. 2015-02-05 US disclosed
WO-2015017713-A1 D-AMINO ACID PHOSPHORAMIDATE PRONUCLEOTIDES OF HALOGENO PYRIMIDINE COMPOUNDS FOR LIVER DISEASE IDENIX PHARMACEUTICALS, INC. (US) 2015-02-05 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 (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-20150037282-A1 D-AMINO ACID PHOSPHORAMIDATE PRONUCLEOTIDES OF HALOGENO PYRIMIDINE COMPOUNDS FOR LIVER DISEASE PNP, ATIC, SLC29A1 CYP3A4 3771/4885CYP2C9 2922/4885BTN3A1 2302/4885
US-20160082030-A1 D-AMINO ACID PHOSPHORAMIDATE PRONUCLEOTIDES OF HALOGENO PYRIMIDINE COMPOUNDS FOR LIVER DISEASE PNP, ATIC, SLC29A1 CYP3A4 3771/4885CYP2C9 2922/4885BTN3A1 2302/4885

“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.