SCHEMBL350487

SCHEMBL350487

CC(C)OC(=O)c1nc(Br)c(Cc2ccc(F)cc2)c2c1N(C(=O)OC(C)(C)C)CC2(C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.36
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
NR1H4 Q96RI1 2/20 0.33
F2RL1 P55085 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
RORC P51449 3/20 0.31
GPR4 P46093 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL12359006 0.83 NPSR1 (0.37) NPSR1CNR1CNR2NR1H4F2RL1
SCHEMBL12358989 0.73 NPSR1 (0.40) NPSR1HDAC6
SCHEMBL349940 0.73 NPSR1 (0.40) NPSR1ALDH1A1LMNA
SCHEMBL341063 0.70 NPSR1 (0.46) NPSR1CNR1CNR2HDAC1HDAC6
SCHEMBL25210471 0.70 XIAP (0.40) CNR1CNR2F2RL1
SCHEMBL12359007 0.69 NPSR1 (0.37) NPSR1
SCHEMBL342061 0.68 NPSR1 (0.36) NPSR1
SCHEMBL12358979 0.67 NPSR1 (0.35) NPSR1
SCHEMBL15649009 0.66 XIAP (0.37) CNR1CNR2HDAC1HDAC6RORC
SCHEMBL351045 0.66 NPSR1 (0.36) NPSR1NR1H4ALDH1A1LMNA

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 NPSR1 4462/4885CNR1 4670/4885CNR2 4830/4885

“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.