SCHEMBL349940

SCHEMBL349940

CC(C)OC(=O)c1nc(Br)c(Cc2ccc(F)cc2)c(Br)c1NC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.40
CYP17A1 P05093 1/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
KCNQ4 P56696 3/20 0.35
KCNQ5 Q9NR82 3/20 0.35
GRM2 Q14416 1/20 0.35
ATR Q13535 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
SCN9A Q15858 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
NPR3 P17342 1/20 0.32
MAPK14 Q16539 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
SCHEMBL345692 0.83 NPSR1 (0.40) NPSR1CYP17A1CTSSCTSKKCNQ4
SCHEMBL12358989 0.81 NPSR1 (0.40) NPSR1GRM2
SCHEMBL341063 0.79 NPSR1 (0.46) NPSR1SMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL12359007 0.77 NPSR1 (0.37) NPSR1GRM2
SCHEMBL342061 0.76 NPSR1 (0.36) NPSR1GRM2
SCHEMBL12358962 0.75 TSHR (0.39) NPSR1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL12358979 0.75 NPSR1 (0.35) NPSR1GRM2
SCHEMBL13537087 0.74 CYP17A1 (0.37) NPSR1CYP17A1CTSSCTSKATR
SCHEMBL344041 0.74 KCNQ4 (0.42) NPSR1CYP17A1CTSSCTSKKCNQ4
SCHEMBL350487 0.73 NPSR1 (0.36) NPSR1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2321319-B1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2012-03-14 EP disclosed
US-7998950-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2011-08-16 US disclosed
US-7998950-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2011-08-16 US disclosed
WO-2010011959-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-01-28 WO disclosed
US-20100022508-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-01-28 US disclosed
US-20100022508-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-01-28 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 (1 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-20100022508-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NPSR1 4462/4885CYP17A1 4463/4885CTSS 925/4885

“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.