SCHEMBL4416232

SCHEMBL4416232

O=C(O)CC(O)(C(=O)O)[C@@H](F)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 5/20 0.59
CPT2 P23786 1/20 0.59
HSPD1 P10809 1/20 0.44
BLM P54132 1/20 0.44
HSPE1 P61604 1/20 0.44
ALDH1A1 P00352 1/20 0.42
HMGCR P04035 1/20 0.37
CHRM1 P11229 1/20 0.37
TBXA2R P21731 1/20 0.37
ADRA1A P35348 1/20 0.37
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL679467 1.00 ACLY (0.59) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL17656832 1.00 ACLY (0.59) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL31629798 1.00 ACLY (0.59) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL9550997 0.77 ACLY (0.59) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL29074266 0.77 ACLY (0.54) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL2190166 0.76 ACLY (0.64) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL17181757 0.74 ACLY (1.00) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL2111332 0.74 ACLY (1.00) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL17181773 0.74 ACLY (1.00) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL6773065 0.74 ACLY (1.00) ACLYCPT2HSPD1BLMHSPE1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090324682-A1 Medical stent provided with inhibitors of atp synthesis INTERSTITIAL THERAPEUTICS (CH) 2009-12-31 US claimed
EP-1789030-A2 MEDICAL IMPLANT PROVIDED WITH INHIBITORS OF ATP SYNTHESIS Interstitial Therapeutics (CH) 2007-05-30 EP claimed
EP-1789107-A2 MEDICAL STENT PROVIDED WITH INHIBITORS OF ATP SYNTHESIS Interstitial Therapeutics (CH) 2007-05-30 EP claimed
WO-2006024488-A2 MEDICAL STENT PROVIDED WITH INHIBITORS OF ATP SYNTHESIS INTERSTITIAL THERAPEUTICS (CH) 2006-03-09 WO claimed
WO-2006024492-A2 MEDICAL IMPLANT PROVIDED WITH INHIBITORS OF ATP SYNTHESIS INTERSTITIAL THERAPEUTICS (CH) 2006-03-09 WO claimed
US-20090324682-A1 Medical stent provided with inhibitors of atp synthesis INTERSTITIAL THERAPEUTICS (CH) 2009-12-31 US disclosed
EP-1789107-B1 MEDICAL STENT PROVIDED WITH INHIBITORS OF ATP SYNTHESIS INTERSTITIAL THERAPEUTICS (CH) 2009-05-27 EP disclosed
US-20070292478-A1 Medical Implant Provided with Inhibitors of Atp Synthesis INTERSTITIAL THERAPEUTICS (CH) 2007-12-20 US disclosed
US-20070254037-A1 Methods and Compositions for the Treatment of Cell Proliferation INTERSTITIAL THERAPEUTICS (CH) 2007-11-01 US disclosed
EP-1789029-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CELL PROLIFERATION Interstitial Therapeutics (CH) 2007-05-30 EP disclosed
EP-1789030-A2 MEDICAL IMPLANT PROVIDED WITH INHIBITORS OF ATP SYNTHESIS Interstitial Therapeutics (CH) 2007-05-30 EP disclosed
EP-1789107-A2 MEDICAL STENT PROVIDED WITH INHIBITORS OF ATP SYNTHESIS Interstitial Therapeutics (CH) 2007-05-30 EP disclosed
WO-2006024489-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CELL PROLIFERATION INTERSTITIAL THERAPEUTICS (CH) 2006-03-09 WO disclosed
WO-2006024488-A2 MEDICAL STENT PROVIDED WITH INHIBITORS OF ATP SYNTHESIS INTERSTITIAL THERAPEUTICS (CH) 2006-03-09 WO disclosed
WO-2006024490-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CELL PROLIFERATION INTERSTITIAL THERAPEUTICS (CH) 2006-03-09 WO disclosed
WO-2006024491-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CELL PROLIFERATION INTERSTITIAL THERAPEUTICS (CH) 2006-03-09 WO disclosed
WO-2006024492-A2 MEDICAL IMPLANT PROVIDED WITH INHIBITORS OF ATP SYNTHESIS INTERSTITIAL THERAPEUTICS (CH) 2006-03-09 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 (3 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-20090324682-A1 Medical stent provided with inhibitors of atp synthesis ATP5ME, ATP5F1A, ATP5MG ACLY 271/4885CPT2 3673/4885HSPD1 1924/4885
US-20070292478-A1 Medical Implant Provided with Inhibitors of Atp Synthesis ATP5F1A, ATP5ME, ATP5MG ACLY 78/4885CPT2 3075/4885HSPD1 1428/4885
US-20070254037-A1 Methods and Compositions for the Treatment of Cell Proliferation MKI67, PCK2, CS ACLY 35/4885CPT2 220/4885HSPD1 276/4885

“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.