SCHEMBL344041

SCHEMBL344041

CC(C)OC(=O)c1ncc(Cc2ccc(F)cc2)cc1NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNQ4 P56696 3/20 0.42
KCNQ5 Q9NR82 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP17A1 P05093 1/20 0.40
P2RX3 P56373 2/20 0.40
CNR2 P34972 1/20 0.38
MAPK14 Q16539 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
GRM2 Q14416 1/20 0.36
ELANE P08246 3/20 0.36
RORC P51449 3/20 0.35
AAK1 Q2M2I8 2/20 0.35

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
SCHEMBL5538920 0.87 KCNQ4 (0.47) KCNQ4KCNQ5NPSR1CYP17A1MAPK14
SCHEMBL4715108 0.86 KCNQ4 (0.45) KCNQ4KCNQ5CYP17A1P2RX3MAPK14
SCHEMBL13537168 0.80 NPSR1 (0.42) NPSR1CYP17A1P2RX3CNR2CTSS
SCHEMBL345692 0.80 NPSR1 (0.40) KCNQ4KCNQ5NPSR1CYP17A1P2RX3
SCHEMBL344039 0.79 NPSR1 (0.48) NPSR1GRM2
SCHEMBL344043 0.77 NPSR1 (0.49) NPSR1CNR2GRM2
SCHEMBL4900478 0.77 AAK1 (0.47) P2RX3AAK1
SCHEMBL12358957 0.76 CYP17A1 (0.44) CYP17A1CNR2MAPK14
SCHEMBL1593857 0.76 NPSR1 (0.48) NPSR1CNR2GRM2
SCHEMBL13851061 0.76 BRD4 (0.42) NPSR1CYP17A1

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 5 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
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 KCNQ4 4220/4885KCNQ5 4104/4885NPSR1 4462/4885

“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.