SCHEMBL5031006

SCHEMBL5031006

CC(C)c1nc(CO)n(Cc2ccncc2)c1Sc1cccc(O)c1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC2A4 P14672 1/20 0.33
CYP17A1 P05093 3/20 0.33
CYP3A4 P08684 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
GCGR P47871 1/20 0.32
ALOX5AP P20292 1/20 0.32
GRM2 Q14416 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PRKCI P41743 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
PIM1 P11309 1/20 0.30
PIM3 Q86V86 1/20 0.30

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
SCHEMBL7079909 0.90 IDO1 (0.36) MEN1KMT2APIM1PIM3
SCHEMBL8109545 0.89 GRIN1 (0.36) CYP17A1CYP3A4CYP11B1CYP11B2GCGR
SCHEMBL7078348 0.88 SMN1; SMN2 (0.36) CYP3A4ALOX5APMEN1KMT2APIM1
SCHEMBL5030991 0.87 EDNRB (0.40) GCGR
SCHEMBL6963024 0.84 PDE4A (0.39) MEN1KMT2A
SCHEMBL7083001 0.84 MEN1 (0.34) MEN1KMT2A
SCHEMBL5852651 0.84 KCNH2 (0.35) MEN1KMT2APIM1PIM3
SCHEMBL6960983 0.83 ENPP2 (0.32) MEN1KMT2A
SCHEMBL6959029 0.82 IDO1 (0.35) MEN1KMT2A
SCHEMBL6975192 0.81 TDP1 (0.43) CYP3A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462608-B2 Non nucleoside reverse transcriptase inhibitors GILEAD SCIENCES, INC. (US) 2008-12-09 US disclosed
US-7462608-B2 Non nucleoside reverse transcriptase inhibitors GILEAD SCIENCES, INC. (US) 2008-12-09 US disclosed
US-7462608-B2 Non nucleoside reverse transcriptase inhibitors GILEAD SCIENCES, INC. (US) 2008-12-09 US disclosed
US-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 US disclosed
US-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 US disclosed
US-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 US disclosed
EP-1575486-A4 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES INC (US) 2007-02-28 EP disclosed
EP-1711617-A1 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTICS COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-10-18 EP disclosed
WO-2005064008-A9 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES INC (US) 2006-09-28 WO disclosed
US-20060128692-A1 Non nucleoside reverse transcriptase inhibitors GILEAD SCIENCES, INC (US) 2006-06-15 US disclosed
US-20060115815-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2006-06-01 US disclosed
EP-1620445-A2 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-02-01 EP disclosed
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds GILEAD SCIENCES. INC. 2005-10-27 US disclosed
EP-1575486-A2 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-09-21 EP disclosed
US-20050197320-A1 Non nucleoside reverse transcriptase inhibitors GILEAD SCIENCES, INC. 2005-09-08 US disclosed
WO-2005064008-A1 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-07-14 WO disclosed
WO-2004096818-A2 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-11-11 WO disclosed
US-20040121316-A1 Method and compositions for identifying anti-HIV therapeutic compounds GILEAD SCIENCES, INC. 2004-06-24 US disclosed
WO-2003090691-A2 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2003-11-06 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-20060128692-A1 Non nucleoside reverse transcriptase inhibitors TYMP, PNP, ITPA SLC2A4 3641/4885CYP17A1 3324/4885CYP3A4 2125/4885
US-20040121316-A1 Method and compositions for identifying anti-HIV therapeutic compounds CES1, PNP, PGLS SLC2A4 4009/4885CYP17A1 1066/4885CYP3A4 247/4885
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds CES1, PNP, PGLS SLC2A4 4009/4885CYP17A1 1066/4885CYP3A4 247/4885
US-20050197320-A1 Non nucleoside reverse transcriptase inhibitors TYMP, PNP, ITPA SLC2A4 3641/4885CYP17A1 3324/4885CYP3A4 2125/4885

“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.