Sugi Predict

Sugi Predict / Compounds / SCHEMBL3363159

SCHEMBL3363159

SCHEMBL3363159

CC(C)(C)Oc1ccc(CC2NC(=O)NC(Cc3ccc(OC(C)(C)C)cc3)C3OC(C)(C)OC23)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TLR9 Q9NR96 1/20 0.33
▸ ACACB O00763 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
SCHEMBL14634414 0.81 KMT2A (0.48) GLANPSR1MEN1ALDH1A1LMNA
SCHEMBL13538416 0.80 CAPN1 (0.40) GLANPSR1MEN1ALDH1A1LMNA
SCHEMBL3364723 0.80 CAPN1 (0.40) GLANPSR1MEN1ALDH1A1LMNA
SCHEMBL13538411 0.79 PLA2G10 (0.41) GLANPSR1HDAC8TLR9
SCHEMBL13538534 0.79 MEN1 (0.50) GLANPSR1MEN1LMNAKMT2A
SCHEMBL13538515 0.79 MEN1 (0.50) GLANPSR1MEN1LMNAKMT2A
SCHEMBL13541305 0.77 KMT2A (0.45) GLANPSR1MEN1ALDH1A1LMNA
SCHEMBL8958982 0.77 GLA (0.71) GLANPSR1HDAC2HDAC8HDAC6
SCHEMBL13541302 0.76 KMT2A (0.44) GLANPSR1MEN1ALDH1A1LMNA
SCHEMBL13538516 0.76 LMNA (0.48) HDAC6MEN1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 — — US disclosed
US-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 — — US 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-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds GILEAD SCIENCES. INC. 2005-10-27 — — US disclosed
US-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. 2005-09-22 — — US disclosed
WO-2005064008-A1 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-07-14 — — 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 (2 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-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds PPA1, PPME1, PNP GLA 559/4885NPSR1 4080/4885HDAC2 2852/4885
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds CES1, PNP, PGLS GLA 128/4885NPSR1 4001/4885HDAC2 3912/4885

“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.