SCHEMBL4863329

SCHEMBL4863329

C[C@H]1CC[C@@](/C=N/OCc2ccccc2)(C(=O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
CYP2C19 P33261 2/20 0.40
KDM4E B2RXH2 2/20 0.38
HTR2C P28335 1/20 0.38
LMNA P02545 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
METAP2 P50579 4/20 0.37
CYP2C9 P11712 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
TSHR P16473 2/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
NAMPT P43490 1/20 0.36
GAA P10253 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35

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
SCHEMBL4863333 1.00 ALDH1A1 (0.40) ALDH1A1CYP2C19KDM4EHTR2CLMNA
SCHEMBL4866100 1.00 ALDH1A1 (0.40) ALDH1A1CYP2C19KDM4EHTR2CLMNA
SCHEMBL4863343 1.00 ALDH1A1 (0.40) ALDH1A1CYP2C19KDM4EHTR2CLMNA
SCHEMBL4864657 0.89 METAP2 (0.39) ALDH1A1CYP2C19KDM4EHTR2CLMNA
SCHEMBL4866445 0.89 METAP2 (0.39) ALDH1A1CYP2C19KDM4EHTR2CLMNA
SCHEMBL4864653 0.89 METAP2 (0.39) ALDH1A1CYP2C19KDM4EHTR2CLMNA
SCHEMBL4866777 0.88 METAP2 (0.36) ALDH1A1KDM4EHTR2CLMNANPC1
SCHEMBL4866782 0.88 METAP2 (0.36) ALDH1A1KDM4EHTR2CLMNANPC1
SCHEMBL4866773 0.88 METAP2 (0.36) ALDH1A1KDM4EHTR2CLMNANPC1
SCHEMBL4866785 0.88 METAP2 (0.36) ALDH1A1KDM4EHTR2CLMNANPC1

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 2 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

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 ALDH1A1 4302/4885CYP2C19 4175/4885KDM4E 2591/4885

“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.