SCHEMBL3944732

SCHEMBL3944732

C=CCCCC[C@H](CO)C(=O)NOc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 9/20 0.43
METAP1 P53582 7/20 0.43
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HDAC2 Q92769 1/20 0.34
LTA4H P09960 1/20 0.33
CASP1 P29466 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32

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
SCHEMBL3944730 0.82 NPC1 (0.43) HDAC2LTA4HRAB9AMMP1MMP3
SCHEMBL4392472 0.79 NPC1 (0.43) HDAC2RAB9A
SCHEMBL4392476 0.79 NPC1 (0.43) HDAC2RAB9A
SCHEMBL3943247 0.78 ALDH1A1 (0.37) METAP2METAP1ALDH1A1L3MBTL1KDM4E
SCHEMBL3944731 0.70 MAPT (0.45) ALDH1A1SMN1; SMN2
SCHEMBL20139943 0.70 MAPT (0.45) ALDH1A1SMN1; SMN2
SCHEMBL9662596 0.70 CASP1 (0.51) ALDH1A1KDM4ECASP1KMT2ASMN1; SMN2
SCHEMBL28557128 0.70 TDP1 (0.46) ALDH1A1L3MBTL1KDM4ECASP1KMT2A
SCHEMBL13609089 0.70 METAP2 (0.54) METAP2METAP1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL23833831 0.68 FOLH1 (0.62)

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 METAP2 757/4885METAP1 407/4885ALDH1A1 4302/4885

“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.