SCHEMBL13470529

SCHEMBL13470529

CO[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 12/20 0.54
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL16024774 1.00 BTN3A1 (0.54) BTN3A1MEN1KMT2ANPSR1CYP3A4
SCHEMBL16140840 1.00 BTN3A1 (0.54) BTN3A1MEN1KMT2ANPSR1CYP3A4
SCHEMBL15588638 1.00 BTN3A1 (0.54) BTN3A1MEN1KMT2ANPSR1CYP3A4
SCHEMBL16140841 1.00 BTN3A1 (0.54) BTN3A1MEN1KMT2ANPSR1CYP3A4
SCHEMBL16153685 1.00 BTN3A1 (0.54) BTN3A1MEN1KMT2ANPSR1CYP3A4
SCHEMBL15721493 1.00 BTN3A1 (0.54) BTN3A1MEN1KMT2ANPSR1CYP3A4
SCHEMBL16015987 0.94 BTN3A1 (0.58) BTN3A1MEN1KMT2ANPSR1CYP3A4
SCHEMBL13660267 0.90 BTN3A1 (0.53) BTN3A1MEN1KMT2ANPSR1KDM4E
SCHEMBL16576300 0.90 BTN3A1 (0.53) BTN3A1MEN1KMT2ANPSR1KDM4E
SCHEMBL25709714 0.90 BTN3A1 (0.53) BTN3A1MEN1KMT2ANPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9216960-B2 Spiro[2.4]heptanes for treatment of Flaviviridae infections UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2015-12-22 US disclosed
US-20150079036-A1 Spiro[2.4]heptanes for Treatment of Flaviviridae Infections UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2015-03-19 US disclosed
US-8946242-B2 Spiro[2.4]heptanes for treatment of flaviviridae infections UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2015-02-03 US disclosed
US-8921384-B2 Spiro[2.4]heptanes for treatment of flaviviridae infections UNVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2014-12-30 US disclosed
EP-2801580-A1 Nucleoside phosphoramidate prodrugs Gilead Pharmasset LLC (US) 2014-11-12 EP disclosed
EP-2792680-A1 Nucleoside phosphoramidate prodrugs Gilead Pharmasset LLC (US) 2014-10-22 EP disclosed
WO-2014165542-A1 2',4'-FLUORO NUCLEOSIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS, INC. (US) 2014-10-09 WO disclosed
US-20140140957-A1 Spiro[2.4]heptanes for Treatment of Flaviviridae Infections UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2014-05-22 US disclosed
US-20140140958-A1 Spiro[2.4]heptanes for Treatment of Flaviviridae Infections UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2014-05-22 US disclosed
US-8673926-B2 Spiro[2.4]heptanes for treatment of flaviviridae infections UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2014-03-18 US disclosed
US-20130224152-A1 Spiro[2.4]heptanes for Treatment of Flaviviridae Infections UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2013-08-29 US disclosed
US-20120263678-A1 1'-SUBSTITUTED PYRIMIDINE N-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-10-18 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 (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-20140140958-A1 Spiro[2.4]heptanes for Treatment of Flaviviridae Infections HAVCR2, SLC10A1, CYP8B1 BTN3A1 4223/4885MEN1 4320/4885KMT2A 4122/4885
US-20130224152-A1 Spiro[2.4]heptanes for Treatment of Flaviviridae Infections HAVCR2, SLC10A1, CYP8B1 BTN3A1 4223/4885MEN1 4320/4885KMT2A 4122/4885
US-20120263678-A1 1'-SUBSTITUTED PYRIMIDINE N-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, NUDT1, TYMP BTN3A1 3530/4885MEN1 3685/4885KMT2A 3595/4885
US-20140140957-A1 Spiro[2.4]heptanes for Treatment of Flaviviridae Infections HAVCR2, SLC10A1, CYP8B1 BTN3A1 4223/4885MEN1 4320/4885KMT2A 4122/4885
US-20150079036-A1 Spiro[2.4]heptanes for Treatment of Flaviviridae Infections HAVCR2, SLC10A1, CYP8B1 BTN3A1 4223/4885MEN1 4320/4885KMT2A 4122/4885

“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.