SCHEMBL3873093

SCHEMBL3873093

CCCC[C@@H](C(=O)O)[C@@H]1OC(C)(C)OC1=O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.35
MAPK1 P28482 1/20 0.35
PTPN1 P18031 3/20 0.34
ACP1 P24666 2/20 0.34
CDC25B P30305 2/20 0.34
HSD17B10 Q99714 1/20 0.32
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
GPR84 Q9NQS5 3/20 0.31
FFAR1 O14842 1/20 0.31
DAGLA Q9Y4D2 1/20 0.31
GLS O94925 1/20 0.30
MAPT P10636 1/20 0.30
LCK P06239 1/20 0.30
PPARD Q03181 1/20 0.30
ZDHHC20 Q5W0Z9 1/20 0.30
ZDHHC2 Q9UIJ5 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL4221143 1.00 CA2 (0.35) CA2MAPK1PTPN1ACP1CDC25B
SCHEMBL7422145 0.70 GRIK1 (0.40)
SCHEMBL5376939 0.70 CA2 (0.32) CA2MAPK1
SCHEMBL4978274 0.63 CA2 (0.47) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL8775616 0.63 PTPN1 (0.44) PTPN1ACP1CDC25BDAGLAGLS
SCHEMBL13477900 0.63 CA2 (0.42) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL11191261 0.62 PPARG (0.42) PTPN1ACP1CDC25BHSD17B10GPR84
SCHEMBL9722690 0.62 CA2 (0.41) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL407615 0.60 CA2 (0.44) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL1527354 0.60 CA2 (0.44) CA2MAPK1SLC1A3SLC1A2SLC1A1

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-7612059-B2 Pyrrolidine bicyclic compounds and its derivatives, compositions and methods of use VICURON PHARMACEUTICALS, INC. (US) 2009-11-03 US disclosed
US-7612059-B2 Pyrrolidine bicyclic compounds and its derivatives, compositions and methods of use VICURON PHARMACEUTICALS, INC. (US) 2009-11-03 US disclosed
US-20090149509-A1 NOVEL PYRROLIDINE BICYCLIC COMPOUNDS AND ITS DERIVATIVES, COMPOSITIONS AND METHODS OF USE VICURON PHARMACEUTICALS INC. (US) 2009-06-11 US disclosed
US-20090149509-A1 NOVEL PYRROLIDINE BICYCLIC COMPOUNDS AND ITS DERIVATIVES, COMPOSITIONS AND METHODS OF USE VICURON PHARMACEUTICALS INC. (US) 2009-06-11 US disclosed
EP-1771421-B1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF SERONO LAB (CH) 2009-04-29 EP 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-20090149509-A1 NOVEL PYRROLIDINE BICYCLIC COMPOUNDS AND ITS DERIVATIVES, COMPOSITIONS AND METHODS OF USE PDF, PNPO, PDXK CA2 4872/4885MAPK1 1844/4885PTPN1 247/4885

“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.