SCHEMBL9977262

SCHEMBL9977262

CC(C)(C)OC(=O)N1CCC[C@@H]1c1nc(C(=O)N2CCC3(CCN(C(=O)c4cn(COCC[Si](C)(C)C)c(C5CCCC5)n4)CC3)CC2)cn1COCC[Si](C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
NPC1L1 Q9UHC9 1/20 0.34
LMNA P02545 3/20 0.33
TP53 P04637 2/20 0.33
KLKB1 P03952 1/20 0.33
GLA P06280 1/20 0.33
TSHR P16473 3/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
SCD5 Q86SK9 1/20 0.33
NAMPT P43490 1/20 0.32
GPR119 Q8TDV5 1/20 0.32

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
SCHEMBL13447804 1.00 ALDH1A1 (0.35) ALDH1A1NPC1L1LMNATP53KLKB1
SCHEMBL2708802 0.96 ALDH1A1 (0.37) ALDH1A1LMNATP53KLKB1GLA
SCHEMBL18462780 0.96 ALDH1A1 (0.37) ALDH1A1LMNATP53KLKB1GLA
SCHEMBL16001561 0.92 NPC1L1 (0.34) ALDH1A1NPC1L1KLKB1SCD5
SCHEMBL204386 0.90 ALDH1A1 (0.33) ALDH1A1LMNATP53KLKB1GLA
SCHEMBL205729 0.83 ALDH1A1 (0.41) ALDH1A1LMNATP53GLATSHR
SCHEMBL2706305 0.83 ALDH1A1 (0.41) ALDH1A1LMNATP53GLATSHR
SCHEMBL16016012 0.80 ALDH1A1 (0.42) ALDH1A1LMNATP53GLATSHR
SCHEMBL203341 0.79 ALDH1A1 (0.41) ALDH1A1LMNATP53GLATSHR
SCHEMBL2706107 0.79 ALDH1A1 (0.41) ALDH1A1LMNATP53GLATSHR

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-8841278-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-23 US disclosed
US-8822430-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-02 US disclosed
US-8669234-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-03-11 US disclosed
US-20140051656-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-20140039021-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-06 US disclosed
US-8575118-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-11-05 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 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 (3 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-20140051656-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ALDH1A1 3957/4885NPC1L1 659/4885LMNA 1353/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ALDH1A1 3957/4885NPC1L1 659/4885LMNA 1353/4885
US-20140039021-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ALDH1A1 3957/4885NPC1L1 659/4885LMNA 1353/4885

“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.