SCHEMBL969657

SCHEMBL969657

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

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FAP Q12884 2/20 0.69
CYP3A4 P08684 15/20 0.63
CYP2D6 P10635 14/20 0.58

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
Fumaric Acid SCHEMBL2670558 0.95 FAP (0.71) FAPCYP3A4CYP2D6
SCHEMBL3672191 0.89 FAP (0.70) FAPCYP3A4CYP2D6
SCHEMBL28395512 0.86 FAP (0.85) FAPCYP3A4CYP2D6
SCHEMBL29402746 0.86 FAP (0.85) FAPCYP3A4CYP2D6
SCHEMBL14507066 0.86 FAP (0.85) FAPCYP3A4CYP2D6
Fumaric Acid SCHEMBL4212549 0.85 FAP (0.72) FAPCYP3A4CYP2D6
Tenofovir Disoproxil SCHEMBL15241296 0.82 FAP (0.96) FAPCYP3A4CYP2D6
Tenofovir Disoproxil SCHEMBL29376425 0.81 FAP (1.00) FAPCYP3A4CYP2D6
Tenofovir Disoproxil SCHEMBL18907027 0.81 FAP (1.00) FAPCYP3A4CYP2D6
Tenofovir Disoproxil SCHEMBL52793 0.81 FAP (1.00) FAPCYP3A4CYP2D6

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 130 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2932970-A1 ANTIVIRAL THERAPY VIIV Healthcare Company (US) 2015-10-21 EP claimed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP claimed
WO-2009075960-A1 CCR5 ANTAGONISTS AS THERAPEUTIC AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-18 WO claimed
WO-2009058923-A1 CCR5 ANTAGONISTS AS THERAPEUTIC AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2009-05-07 WO claimed
US-20090053172-A1 HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS AQUINO CHRISTOPHER JOSEPH 2009-02-26 US claimed
EP-1622615-A4 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-02-18 EP claimed
EP-1569931-B1 HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2008-10-08 EP claimed
US-20080234231-A1 Hiv Integrase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-09-25 US claimed
US-20080214527-A1 Hiv Integrase Inhibitors SHIONOGI & CO. LTD (JP) 2008-09-04 US claimed
US-20080214503-A1 Hiv Integrase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-09-04 US claimed
EP-1569646-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-07 EP claimed
EP-1569933-A1 PYRROLIDINE AND AZETIDINE COMPOUNDS AS CCR5 ANTAGONISTS SmithKline Beecham Corporation (US) 2005-09-07 EP claimed
EP-1569931-A1 HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-07 EP claimed
WO-2005077050-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 WO claimed
WO-2004101512-A2 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-11-25 WO claimed
WO-2004055016-A1 PYRROLIDINE AND AZETIDINE COMPOUNDS AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 WO claimed
WO-2004055011-A1 HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 WO claimed
WO-2004055012-A1 INDANE COMPOUNDS AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 WO claimed
WO-2004054974-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 WO claimed
US-20040122064-A1 Benzophenones as inhibitors of reverse transcriptase SMITHKLINE BEECHAM CORPORATION 2004-06-24 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20090053172-A1 HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS CCR5, CXCR3, CCR1 FAP 4290/4885CYP3A4 576/4885CYP2D6 1070/4885
US-20040122064-A1 Benzophenones as inhibitors of reverse transcriptase POLRMT, ELL, POLR2A FAP 2835/4885CYP3A4 78/4885CYP2D6 131/4885
US-20080214527-A1 Hiv Integrase Inhibitors API5, ING2, SAMHD1 FAP 3526/4885CYP3A4 1166/4885CYP2D6 3048/4885
US-20080214503-A1 Hiv Integrase Inhibitors SAMHD1, ACIN1, API5 FAP 3228/4885CYP3A4 1163/4885CYP2D6 3174/4885
US-20080234231-A1 Hiv Integrase Inhibitors ING2, API5, SAMHD1 FAP 3304/4885CYP3A4 1298/4885CYP2D6 3175/4885

“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.