SCHEMBL3944730

SCHEMBL3944730

C=CCCCC[C@H](CO)C(=O)NOCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
MMP3 P08254 2/20 0.38
MMP9 P14780 2/20 0.38
MMP8 P22894 2/20 0.38
HDAC3 O15379 5/20 0.36
HDAC1 Q13547 4/20 0.36
HDAC8 Q9BY41 4/20 0.36
HDAC6 Q9UBN7 4/20 0.36
HDAC4 P56524 3/20 0.36
HDAC7 Q8WUI4 3/20 0.36
HDAC2 Q92769 3/20 0.36
HDAC10 Q969S8 3/20 0.36
HDAC11 Q96DB2 3/20 0.36
HDAC9 Q9UKV0 3/20 0.36
HDAC5 Q9UQL6 3/20 0.36
NCOR2 Q9Y618 1/20 0.36
LTA4H P09960 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL4392476 0.96 NPC1 (0.43) NPC1RAB9AHDAC3HDAC1HDAC8
SCHEMBL4392472 0.96 NPC1 (0.43) NPC1RAB9AHDAC3HDAC1HDAC8
SCHEMBL131149 0.84 BIRC2 (0.47) NPC1RAB9AMMP3MMP1
SCHEMBL130361 0.84 BIRC2 (0.47) NPC1RAB9AMMP3MMP1
SCHEMBL7048992 0.83 NPC1 (0.48) NPC1RAB9AHDAC3NCOR2
SCHEMBL7048995 0.83 NPC1 (0.48) NPC1RAB9AHDAC3NCOR2
SCHEMBL3944732 0.82 METAP2 (0.43) RAB9AMMP3HDAC2LTA4HMMP1
SCHEMBL13681826 0.82 NPC1 (0.47) NPC1RAB9AMMP3CA1CA2
SCHEMBL3859822 0.82 NPC1 (0.47) NPC1RAB9AMMP3CA1CA2
SCHEMBL16898303 0.80 NPC1 (0.50) NPC1RAB9AMMP8

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
US-7507726-B2 Peptide deformylase inhibitors SMITHKLINEBEECHAM CORPORATION (US) 2009-03-24 US disclosed
EP-1654239-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-10-01 EP disclosed
US-20080167302-A1 Peptide Deformylase Inhibitors GLAXOSMITHKLINE LLC 2008-07-10 US disclosed
EP-1654239-A2 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-05-10 EP disclosed
WO-2005017124-A2 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-02-24 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 (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-20080167302-A1 Peptide Deformylase Inhibitors PDF, PEPD, DPEP1 NPC1 1328/4885RAB9A 2101/4885MMP3 1420/4885

“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.