SCHEMBL4871730

SCHEMBL4871730

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.33
GRM2 Q14416 3/20 0.32
GRM3 Q14832 3/20 0.32
GRM6 O15303 3/20 0.32
CYP1A2 P05177 3/20 0.32
FFAR3 O14843 1/20 0.32
GRM4 Q14833 4/20 0.31
ALDH1A1 P00352 3/20 0.31
CYP2C19 P33261 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GRM8 O00222 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALOX15 P16050 1/20 0.31
SLC6A4 P31645 1/20 0.30

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
SCHEMBL1661518 0.89 APLNR (0.36) APLNRGRM2GRM3GRM6CYP1A2
SCHEMBL2960915 0.81 GRM6 (0.30) GRM2GRM3GRM6
SCHEMBL4886390 0.81 GRM6 (0.30) GRM2GRM3GRM6
SCHEMBL30823593 0.77 FFAR3 (0.48) APLNRGRM2GRM3GRM6CYP1A2
SCHEMBL5476177 0.75 CYP1A2 (0.42) APLNRGRM2GRM3GRM6CYP1A2
SCHEMBL8144754 0.75 APLNR (0.31) APLNRGRM2GRM3GRM6CYP1A2
SCHEMBL6105605 0.72 GRM4 (0.35) APLNRGRM2GRM3GRM6CYP1A2
SCHEMBL15859172 0.72 CYP1A2 (0.53) GRM2GRM3GRM6CYP1A2FFAR3
SCHEMBL22341308 0.70 CYP1A2 (0.32) CYP1A2ALDH1A1
Bicarbonate SCHEMBL9238265 0.70 CA1 (0.39) APLNRCYP1A2FFAR3CYP2C19MEN1

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 APLNR 2713/4885GRM2 4739/4885GRM3 4606/4885

“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.