SCHEMBL13620405

SCHEMBL13620405

CCOC(=O)CC(=O)N(CCC(C)C)n1cncc1C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.38
GABRB2 P47870 4/20 0.38
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
LMNA P02545 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ABCB11 O95342 1/20 0.38
GABRA2 P47869 1/20 0.38
MAPK1 P28482 1/20 0.37
TBXAS1 P24557 1/20 0.32
NAMPT P43490 1/20 0.32
HDAC1 Q13547 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
MGAM O43451 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
SCHEMBL3761977 0.77 GPR35 (0.35) CYP11B1CYP11B2LMNAHDAC1KDM4E
SCHEMBL25363661 0.69 GABRA1 (0.47) GABRA1GABRB2CYP11B1CYP11B2CYP1A2
SCHEMBL13619706 0.66 MAPK1 (0.45) GABRA1GABRB2CYP11B1CYP11B2CYP1A2
SCHEMBL18168799 0.62 MAPK1 (0.41) CYP11B1CYP11B2LMNAMAPK1NAMPT
SCHEMBL25222489 0.62 GABRA1 (0.45) GABRA1GABRB2CYP11B1CYP11B2CYP1A2
SCHEMBL24860298 0.62 MAPK1 (0.53) GABRA1GABRB2CYP11B1CYP11B2CYP1A2
SCHEMBL31518481 0.62 GABRA1 (0.45) GABRA1GABRB2CYP11B1CYP11B2CYP1A2
SCHEMBL11387344 0.62 MAPK1 (0.64) GABRA1GABRB2CYP11B1CYP11B2CYP1A2
SCHEMBL7424605 0.62 CYP11B1 (0.59) GABRA1GABRB2CYP11B1CYP11B2CYP1A2
SCHEMBL31332952 0.61 CYP11B1 (0.55) GABRA1GABRB2CYP11B1CYP11B2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009134616-A2 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-05 WO disclosed
US-20090257979-A1 Novel Inhibitors of Hepatitis C Virus Replication INTERMUNE, INC. (US) 2009-10-15 US disclosed
US-20090257979-A1 Novel Inhibitors of Hepatitis C Virus Replication INTERMUNE, INC. (US) 2009-10-15 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-20090257979-A1 Novel Inhibitors of Hepatitis C Virus Replication EIF2AK2, HAVCR2, HDGF GABRA1 4534/4885GABRB2 4520/4885CYP11B1 2908/4885

“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.