SCHEMBL2512957

SCHEMBL2512957

CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2ccc3c(N)ncnc32)[C@](C)(O)[C@@H]1O)Oc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.58
CYP2C9 P11712 2/20 0.58
PRMT5 O14744 8/20 0.48
WDR77 Q9BQA1 8/20 0.48
BTN3A1 O00481 1/20 0.40

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
SCHEMBL2512956 1.00 CYP3A4 (0.58) CYP3A4CYP2C9PRMT5WDR77BTN3A1
SCHEMBL14367302 0.94 CYP3A4 (0.51) CYP3A4CYP2C9PRMT5WDR77BTN3A1
SCHEMBL15588671 0.93 CYP3A4 (0.59) CYP3A4CYP2C9PRMT5WDR77BTN3A1
SCHEMBL15588991 0.93 CYP3A4 (0.59) CYP3A4CYP2C9PRMT5WDR77BTN3A1
SCHEMBL16480991 0.93 CYP3A4 (0.59) CYP3A4CYP2C9PRMT5WDR77BTN3A1
SCHEMBL16480997 0.93 CYP3A4 (0.59) CYP3A4CYP2C9PRMT5WDR77BTN3A1
SCHEMBL16481000 0.93 CYP3A4 (0.59) CYP3A4CYP2C9PRMT5WDR77BTN3A1
SCHEMBL16481004 0.93 CYP3A4 (0.59) CYP3A4CYP2C9PRMT5WDR77BTN3A1
SCHEMBL15588990 0.93 CYP3A4 (0.59) CYP3A4CYP2C9PRMT5WDR77BTN3A1
SCHEMBL19535640 0.91 CYP3A4 (0.54) CYP3A4CYP2C9PRMT5WDR77BTN3A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859756-B2 Stereoselective synthesis of phosphorus containing actives GILEAD PHARMASSET LLC (US) 2014-10-14 US disclosed
US-8859756-B2 Stereoselective synthesis of phosphorus containing actives GILEAD PHARMASSET LLC (US) 2014-10-14 US disclosed
US-8859756-B2 Stereoselective synthesis of phosphorus containing actives GILEAD PHARMASSET LLC (US) 2014-10-14 US disclosed
EP-2552931-B1 STEREOSELECTIVE SYNTHESIS OF PHOSPHORUS CONTAINING ACTIVES GILEAD PHARMASSET LLC (US) 2014-07-23 EP disclosed
EP-2752422-A1 Stereoselective synthesis of phosphorus containing actives Gilead Pharmasset LLC (US) 2014-07-09 EP disclosed
EP-2552931-A2 STEREOSELECTIVE SYNTHESIS OF PHOSPHORUS CONTAINING ACTIVES Gilead Pharmasset LLC (US) 2013-02-06 EP disclosed
WO-2011123668-A2 STEREOSELECTIVE SYNTHESIS OF PHOSPHORUS CONTAINING ACTIVES PHARMASSET, INC. (US) 2011-10-06 WO disclosed
US-20110245484-A1 STEREOSELECTIVE SYNTHESIS OF PHOSPHORUS CONTAINING ACTIVES PHARMASSET, INC. (US) 2011-10-06 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-20110245484-A1 STEREOSELECTIVE SYNTHESIS OF PHOSPHORUS CONTAINING ACTIVES PPA1, ENPP1, ITPA CYP3A4 1919/4885CYP2C9 1843/4885PRMT5 3705/4885

“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.