SCHEMBL12572425

SCHEMBL12572425

C[C@@]1(F)[C@H](OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)O[C@H]1n1cnc2c(N)ncnc21

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.51
▸ P2RX3 P56373 2/20 0.50
▸ P2RX4 Q99571 2/20 0.50
▸ P2RX2 Q9UBL9 2/20 0.50
▸ GSK3A P49840 2/20 0.49
▸ RPS6KA3 P51812 2/20 0.49
▸ MAPK14 Q16539 2/20 0.49
▸ ADORA2A P29274 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ ENPP1 P22413 1/20 0.47
▸ STING1 Q86WV6 2/20 0.46
▸ AHCY P23526 1/20 0.46
▸ P2RX6 O15547 1/20 0.45
▸ P2RX1 P51575 1/20 0.45
▸ P2RX5 Q93086 1/20 0.45
▸ P2RY11 Q96G91 1/20 0.45
▸ P2RX7 Q99572 1/20 0.45

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
SCHEMBL12482011 1.00 ABCB1 (0.51) ABCB1P2RX3P2RX4P2RX2GSK3A
SCHEMBL20820186 0.91 P2RX3 (0.51) ABCB1P2RX3P2RX4P2RX2GSK3A
SCHEMBL12247692 0.90 LMNA (0.47) ABCB1P2RX3P2RX4P2RX2GSK3A
SCHEMBL13151614 0.87 LMNA (0.45) P2RX3P2RX4P2RX2ADORA2ALMNA
SCHEMBL17706607 0.87 P2RX3 (0.49) ABCB1P2RX3P2RX4P2RX2GSK3A
SCHEMBL24829628 0.85 NT5E (0.44) ABCB1ADORA2ALMNAP2RY11
SCHEMBL17453217 0.85 NT5E (0.44) ABCB1ADORA2ALMNAP2RY11
SCHEMBL930787 0.85 NT5E (0.44) ABCB1ADORA2ALMNAP2RY11
SCHEMBL19777955 0.85 NT5E (0.44) ABCB1ADORA2ALMNAP2RY11
SCHEMBL930786 0.85 NT5E (0.44) ABCB1ADORA2ALMNAP2RY11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11642361-B2 Nucleoside phosphoramidate prodrugs GILEAD SCIENCES, INC. (US) 2023-05-09 — — US disclosed
US-20210196741-A1 NUCLEOSIDE PHOSPHORAMIDATE PRODRUGS GILEAD PHARMASSET LLC 2021-07-01 — — US disclosed
US-9585906-B2 Nucleoside phosphoramidate prodrugs GILEAD PHARMASSET LLC (US) 2017-03-07 — — US disclosed
EP-2933260-A1 NUCLEOSIDE PHOSPHORAMIDATE PRODRUGS Gilead Pharmasset LLC (US) 2015-10-21 — — EP disclosed
US-20150231166-A1 NUCLEOSIDE PHOSPHORAMIDATE PRODRUGS GILEAD SCIENCES, INC. 2015-08-20 — — US disclosed
US-9085573-B2 Nucleoside phosphoramidate prodrugs GILEAD PHARMASSET LLC (US) 2015-07-21 — — US disclosed
US-8957046-B2 Nucleoside phosphoramidate prodrugs GILEAD PHARMASSET LLC (US) 2015-02-17 — — US disclosed
US-8906880-B2 Nucleoside phosphoramidate prodrugs GILEAD PHARMASSET LLC (US) 2014-12-09 — — US disclosed
US-20140315852-A1 NUCLEOSIDE PHOSPHORAMIDATE PRODRUGS GILEAD PHARMASSET LLC (US) 2014-10-23 — — US disclosed
US-20140288020-A1 NUCLEOSIDE PHOSPHORAMIDATE PRODRUGS GILEAD PHARMASSET LLC (US) 2014-09-25 — — US disclosed
US-20140187511-A1 NUCLEOSIDE PHOSPHORAMIDATE PRODRUGS GILEAD PHARMASSET LLC (US) 2014-07-03 — — US disclosed
US-8735372-B2 Nucleoside phosphoramidate prodrugs GILEAD PHARMASSET LLC (US) 2014-05-27 — — US disclosed
US-20140045783-A1 NUCLEOSIDE PHOSPHORAMIDATE PRODRUGS GILEAD PHARMASSET LLC (US) 2014-02-13 — — US disclosed
US-8580765-B2 Nucleoside phosphoramidate prodrugs GILEAD PHARMASSET LLC (US) 2013-11-12 — — US disclosed
US-20130029929-A1 NUCLEOSIDE PHOSPHORAMIDATE PRODRUGS GILEAD PHARMASSET LLC (US) 2013-01-31 — — US disclosed
US-7964580-B2 Nucleoside phosphoramidate prodrugs PHARMASSET, INC. (US) 2011-06-21 — — US disclosed
US-20100016251-A1 NUCLEOSIDE PHOSPHORAMIDATE PRODRUGS PHARMASSET, INC. (US) 2010-01-21 — — US disclosed
WO-2008121634-A2 NUCLEOSIDE PHOSPHORAMIDATE PRODRUGS PHARMASSET, INC. (US) 2008-10-09 — — 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 (9 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-20100016251-A1 NUCLEOSIDE PHOSPHORAMIDATE PRODRUGS PNP, NUDT1, TYMP ABCB1 1432/4885P2RX3 632/4885P2RX4 559/4885
US-20140045783-A1 NUCLEOSIDE PHOSPHORAMIDATE PRODRUGS PNP, NUDT1, TYMP ABCB1 1475/4885P2RX3 622/4885P2RX4 554/4885
US-20130029929-A1 NUCLEOSIDE PHOSPHORAMIDATE PRODRUGS PNP, NUDT1, TYMP ABCB1 1432/4885P2RX3 632/4885P2RX4 559/4885
US-20140315852-A1 NUCLEOSIDE PHOSPHORAMIDATE PRODRUGS PNP, NUDT1, TYMP ABCB1 1432/4885P2RX3 632/4885P2RX4 559/4885
US-20140187511-A1 NUCLEOSIDE PHOSPHORAMIDATE PRODRUGS PNP, NUDT1, TYMP ABCB1 1432/4885P2RX3 632/4885P2RX4 559/4885
US-11642361-B2 Nucleoside phosphoramidate prodrugs PNP, NUDT1, TYMP ABCB1 1432/4885P2RX3 632/4885P2RX4 559/4885
US-20140288020-A1 NUCLEOSIDE PHOSPHORAMIDATE PRODRUGS PNP, NUDT1, TYMP ABCB1 1432/4885P2RX3 632/4885P2RX4 559/4885
US-20150231166-A1 NUCLEOSIDE PHOSPHORAMIDATE PRODRUGS PNP, NUDT1, TYMP ABCB1 1432/4885P2RX3 632/4885P2RX4 559/4885
US-20210196741-A1 NUCLEOSIDE PHOSPHORAMIDATE PRODRUGS PNP, NUDT1, TYMP ABCB1 1432/4885P2RX3 632/4885P2RX4 559/4885

“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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