SCHEMBL4822208

SCHEMBL4822208

COC(=O)c1ccc2c(C3CCCCC3)c(-c3cccnc3OCc3ccccc3)n(CCOCc3ccccc3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
CNR2 P34972 4/20 0.40
CNR1 P21554 2/20 0.40
CYP3A4 P08684 4/20 0.37
CYP2C19 P33261 4/20 0.37
SCN9A Q15858 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2D6 P10635 1/20 0.37
PRKCA P17252 1/20 0.36
MMP12 P39900 1/20 0.36
RORC P51449 1/20 0.36
PPIA P62937 1/20 0.35
CYP1A2 P05177 1/20 0.35
PRKDC P78527 1/20 0.35
GLP1R P43220 1/20 0.35
PDE1C Q14123 1/20 0.34

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
SCHEMBL14435383 0.87 SCN9A (0.38) HDAC1HDAC8HDAC6TLR8TLR7
SCHEMBL27693444 0.87 CNR2 (0.38) HDAC1HDAC8HDAC6CNR2CNR1
SCHEMBL4826344 0.79 SCN9A (0.41) HDAC1HDAC8HDAC6CNR2CYP3A4
SCHEMBL1956161 0.78 HDAC1 (0.49) HDAC1HDAC8HDAC6CNR2CYP3A4
SCHEMBL4823391 0.77 CNR2 (0.44) HDAC1HDAC8HDAC6CNR2CNR1
SCHEMBL772614 0.76 HDAC1 (0.47) HDAC1HDAC8HDAC6CNR2PPIA
SCHEMBL3571468 0.74 FABP4 (0.41) HDAC1HDAC8HDAC6CNR2CYP3A4
SCHEMBL14263519 0.74 ACP1 (0.33) TLR7CNR2PDE1C
SCHEMBL4829898 0.73 SCN9A (0.38) HDAC1HDAC8HDAC6CNR2CYP3A4
SCHEMBL10293468 0.73 HDAC1 (0.42) HDAC1HDAC8HDAC6CNR2SCN9A

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 8 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
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 HDAC1 886/4885HDAC8 1983/4885HDAC6 1265/4885
US-20060046983-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 HDAC1 886/4885HDAC8 1983/4885HDAC6 1265/4885

“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.