SCHEMBL929589

SCHEMBL929589

C[C@@]1(F)[C@H](OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)O[C@@H]1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.50
▸ POLB P06746 3/20 0.42
▸ GAA P10253 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ GAPDH P04406 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNA5 P30532 1/20 0.38
▸ CHRNA7 P36544 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38

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
SCHEMBL18271832 1.00 ALDH1A1 (0.50) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL17685117 1.00 ALDH1A1 (0.50) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL16556366 1.00 ALDH1A1 (0.50) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL13424575 1.00 ALDH1A1 (0.50) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL24371811 0.88 ALDH1A1 (0.50) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL19326428 0.88 ALDH1A1 (0.50) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL929484 0.88 ALDH1A1 (0.50) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL17560666 0.88 ALDH1A1 (0.50) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL21015462 0.88 ALDH1A1 (0.50) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL19326334 0.88 ALDH1A1 (0.50) ALDH1A1POLBGAAMAPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3222628-A1 NUCLEOSIDE PHOSPHORAMIDATES Gilead Pharmasset LLC (US) 2017-09-27 — — EP disclosed
EP-2376088-B1 6-O-Substituted-2-amino-purine nucleoside phosphoramidates GILEAD PHARMASSET LLC (US) 2017-02-22 — — EP disclosed
US-9045520-B2 Synthesis of purine nucleosides GILEAD PHARMASSET LLC (US) 2015-06-02 — — US disclosed
EP-2313422-B1 NUCLEOSIDE CYCLICPHOSPHATES GILEAD PHARMASSET LLC (US) 2015-03-04 — — EP disclosed
US-8957045-B2 Nucleoside phosphoramidates GILEAD PHARMASSET LLC (US) 2015-02-17 — — US disclosed
US-8759510-B2 Nucleoside cyclicphosphates GILEAD PHARMASSET LLC (US) 2014-06-24 — — US disclosed
US-8716263-B2 Synthesis of purine nucleosides GILEAD PHARMASSET LLC (US) 2014-05-06 — — US disclosed
US-8716262-B2 Nucleoside phosphoramidates GILEAD PHARMASSET LLC (US) 2014-05-06 — — US disclosed
EP-2671888-A1 3',5'-cyclic nucleoside phosphate analogues Gilead Pharmasset LLC (US) 2013-12-11 — — EP disclosed
US-20130225519-A1 NUCLEOSIDE PHOSPHORAMIDATES GILEAD PHARMASSET LLC (US) 2013-08-29 — — US disclosed
US-8173621-B2 Nucleoside cyclicphosphates GILEAD PHARMASSET LLC (US) 2012-05-08 — — US disclosed
EP-2376515-A1 Synthesis of purine nucleosides Pharmasset, Inc. (US) 2011-10-19 — — EP disclosed
EP-2376088-A2 NUCLEOSIDE PHOSPHORAMIDATES Pharmasset, Inc. (US) 2011-10-19 — — EP disclosed
EP-2313422-A2 NUCLEOSIDE CYCLICPHOSPHATES Pharmasset, Inc. (US) 2011-04-27 — — EP disclosed
US-20110015146-A1 NUCLEOSIDE PHOSPHORAMIDATES PHARMASSET, INC. (US) 2011-01-20 — — US disclosed
US-20100279973-A1 SYNTHESIS OF PURINE NUCLEOSIDES PHARMASSET, INC. (US) 2010-11-04 — — US disclosed
WO-2010075554-A1 SYNTHESIS OF PURINE NUCLEOSIDES PHARMASSET, INC. (US) 2010-07-01 — — WO disclosed
WO-2010075549-A2 NUCLEOSIDE PHOSPHORAMIDATES PHARMASSET, INC. (US) 2010-07-01 — — WO disclosed
US-20100081628-A1 NUCLEOSIDE CYCLICPHOSPHATES PHARMASSET, INC. (US) 2010-04-01 — — US disclosed
WO-2009152095-A2 NUCLEOSIDE CYCLICPHOSPHATES PHARMASSET, INC. (US) 2009-12-17 — — 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-20100279973-A1 SYNTHESIS OF PURINE NUCLEOSIDES PNP, NUDT1, TYMP ALDH1A1 2131/4885POLB 266/4885GAA 916/4885
US-20110015146-A1 NUCLEOSIDE PHOSPHORAMIDATES PNP, TYMP, NUDT14 ALDH1A1 2155/4885POLB 150/4885GAA 407/4885
US-20100081628-A1 NUCLEOSIDE CYCLICPHOSPHATES PNP, NUDT1, TYMP ALDH1A1 3540/4885POLB 83/4885GAA 566/4885
US-20130225519-A1 NUCLEOSIDE PHOSPHORAMIDATES PNP, TYMP, NUDT14 ALDH1A1 2155/4885POLB 150/4885GAA 407/4885

“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.

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