SCHEMBL4862689

SCHEMBL4862689

C[C@@H]1C[C@H](C)CC(CNC(=O)OCc2ccccc2)(C(=O)O)C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.46
ALDH1A1 P00352 3/20 0.45
FUCA1 P04066 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
HTR2C P28335 1/20 0.43
GAA P10253 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CPB1 P15086 1/20 0.43

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
SCHEMBL4870656 0.85 ALDH1A1 (0.48) SMN1; SMN2LMNAHTTALDH1A1FUCA1
SCHEMBL6240346 0.85 ALDH1A1 (0.48) SMN1; SMN2LMNAHTTALDH1A1FUCA1
SCHEMBL4866087 0.83 EPHX2 (0.45) ALDH1A1HTR2CNPC1RAB9A
SCHEMBL6237661 0.83 EPHX2 (0.45) ALDH1A1HTR2CNPC1RAB9A
SCHEMBL25568293 0.80 SMN1; SMN2 (0.51) SMN1; SMN2LMNAHTTALDH1A1FUCA1
SCHEMBL4870701 0.80 LMNA (0.54) SMN1; SMN2LMNAHTTALDH1A1MEN1
SCHEMBL4867430 0.79 LMNA (0.50) SMN1; SMN2LMNAHTTALDH1A1FUCA1
SCHEMBL4861409 0.79 CTSL (0.53) SMN1; SMN2LMNAHTTALDH1A1MEN1
SCHEMBL3647693 0.79 CTSL (0.53) SMN1; SMN2LMNAHTTALDH1A1MEN1
SCHEMBL4866736 0.78 ALDH1A1 (0.46) SMN1; SMN2LMNAHTTALDH1A1MEN1

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
US-7332485-B2 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORP (US) 2008-02-19 US disclosed
US-20060160802-A1 Peptide deformylase inhibitors GLAXO GROUP LIMITED 2006-07-20 US disclosed
WO-2005005456-A2 PEPTIDE DEFORMYLASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-01-20 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-20060160802-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 SMN1; SMN2 2654/4885LMNA 2515/4885HTT 2931/4885

“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.