SCHEMBL4822409

SCHEMBL4822409

O=C(O)CCCCn1cc(C2CCCCC2)c2ccc(C(=O)O)cc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.44
SCN5A Q14524 2/20 0.44
HRH2 P25021 8/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
TERT O14746 1/20 0.38
KMO O15229 1/20 0.38
SLC22A12 Q96S37 1/20 0.37

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
SCHEMBL4827022 0.80 SCN9A (0.46) SCN9ASCN5AHRH2SMN1; SMN2PTGDR2
SCHEMBL4319879 0.79 LMNA (0.46) SCN9ASCN5AHRH2SMN1; SMN2PDE4A
SCHEMBL900323 0.77 SCN9A (0.64) SCN9ASCN5AHRH2KMO
SCHEMBL13577960 0.77 SCN9A (0.46) SCN9ASCN5AHRH2SMN1; SMN2PDE4A
SCHEMBL27861253 0.76 SCN9A (0.48) SCN9ASCN5AHRH2PTGDR2KMO
SCHEMBL4830054 0.73 SCN9A (0.49) SCN9ASCN5AHRH2SMN1; SMN2PDE4A
SCHEMBL3078280 0.73 SCN9A (0.48) SCN9ASCN5AHRH2KMO
SCHEMBL13577940 0.72 HPGD (0.44) SCN9ASCN5AHRH2SMN1; SMN2
SCHEMBL1553033 0.72 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL14263690 0.72 HRH2 (0.38) SCN9ASCN5AHRH2PTGDR2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
US-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
US-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
CN-101039947-A Inhibitors of hcv replication BRISTOL MYERS SQUIBB CO (US) 2007-09-19 CN disclosed
WO-2007092000-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO disclosed
WO-2007092000-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO disclosed
EP-1776368-A1 INHIBITORS OF HCV REPLICATION Bristol-Myers Squibb Company (US) 2007-04-25 EP disclosed
US-7153848-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-26 US disclosed
US-20060166964-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 US disclosed
US-20060046983-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-03-02 US disclosed
WO-2006020082-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-23 WO 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 (2 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-20060166964-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 SCN9A 4635/4885SCN5A 4645/4885HRH2 2383/4885
US-20060046983-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 SCN9A 4635/4885SCN5A 4645/4885HRH2 2383/4885

“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.