SCHEMBL6492260

SCHEMBL6492260

CCCC[C@@H](C(=O)O)[C@H](O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.50
MAPK1 P28482 1/20 0.50
GPR84 Q9NQS5 7/20 0.48
FFAR1 O14842 2/20 0.48
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
MAPT P10636 1/20 0.42
LCK P06239 1/20 0.42
PPARD Q03181 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
CHRM1 P11229 1/20 0.41
AKR1A1 P14550 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL16794748 1.00 CA2 (0.50) CA2MAPK1GPR84FFAR1SLC1A3
SCHEMBL7186459 0.93 GPR84 (0.57) CA2MAPK1GPR84FFAR1SLC1A2
SCHEMBL12920238 0.91 GPR84 (0.61) GPR84FFAR1SLC1A2SLC1A1MAPT
SCHEMBL4282439 0.91 GPR84 (0.61) GPR84FFAR1SLC1A2SLC1A1MAPT
SCHEMBL16794740 0.91 GPR84 (0.61) GPR84FFAR1SLC1A2SLC1A1MAPT
SCHEMBL1333090 0.86 TDP1 (0.50) CA2MAPK1GPR84FFAR1SLC1A3
SCHEMBL152526 0.85 CA2 (0.58) CA2MAPK1GPR84FFAR1SLC1A3
SCHEMBL3466640 0.84 CA2 (0.52) CA2MAPK1GPR84FFAR1SLC1A3
Ammonia Solution, Strong SCHEMBL5355288 0.83 CA2 (0.56) CA2MAPK1GPR84FFAR1SLC1A3
Ammonia Solution, Strong SCHEMBL5355285 0.83 CA2 (0.56) CA2MAPK1GPR84FFAR1SLC1A3

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
US-20050277683-A1 Novel pyrrolidine bicyclic compounds and its derivatives, compositions and methods of use VICURON HOLDINGS LLC 2005-12-15 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 (2 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-20050277683-A1 Novel pyrrolidine bicyclic compounds and its derivatives, compositions and methods of use PDF, PNPO, PDXK CA2 4872/4885MAPK1 1844/4885GPR84 4660/4885
US-20090149509-A1 NOVEL PYRROLIDINE BICYCLIC COMPOUNDS AND ITS DERIVATIVES, COMPOSITIONS AND METHODS OF USE PDF, PNPO, PDXK CA2 4872/4885MAPK1 1844/4885GPR84 4660/4885

“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.