SCHEMBL13619840

SCHEMBL13619840

CC(C)CCC(C(=O)O)c1ccc(F)cn1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.44
CPB1 P15086 5/20 0.38
CPB2 Q96IY4 5/20 0.38
CPA1 P15085 1/20 0.36
KMO O15229 2/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
MAPK1 P28482 2/20 0.34
FFAR2 O15552 1/20 0.33
CXCR1 P25024 1/20 0.33
CXCR2 P25025 1/20 0.33
CACNA1B Q00975 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
AGBL2 Q5U5Z8 1/20 0.33

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
SCHEMBL13619853 0.83 CPB2 (0.39) CPB1CPB2CPA1KMOGAA
SCHEMBL12627666 0.82 APLNR (0.40) APLNRCPB1CPB2KMOAGBL2
SCHEMBL13619841 0.79 APLNR (0.38) APLNRKMOGAAMAPK1CXCR1
SCHEMBL13619836 0.78 CXCR1 (0.37) APLNRGAAMAPK1CXCR1CXCR2
SCHEMBL17765226 0.77 APLNR (0.51) APLNRKMOPTGS1PTGS2MAPK1
SCHEMBL12627635 0.77 CPA1 (0.43) APLNRCPB1CPB2CPA1PTGS1
SCHEMBL10518849 0.75 CYP2C19 (0.49) CPB1CPB2GAASMN1; SMN2NPSR1
SCHEMBL12627608 0.75 APLNR (0.38) APLNRCPB1CPB2CPA1
SCHEMBL17765315 0.73 APLNR (0.46) APLNRKMOMAPK1FFAR2RXFP1
SCHEMBL4782064 0.72 APLNR (0.47) APLNRKMOMAPK1FFAR2

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 APLNR 3713/4885CPB1 837/4885CPB2 1048/4885

“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.