SCHEMBL4307017

SCHEMBL4307017

CC(=O)C(=O)Oc1cc(C(F)(F)F)ccc1C(=O)O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.78
ALDH1A1 P00352 3/20 0.78
HPGD P15428 3/20 0.78
HSD17B10 Q99714 2/20 0.78
USP2 O75604 1/20 0.78
CYP2C19 P33261 1/20 0.78
CFTR P13569 1/20 0.43
BACE1 P56817 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
ALOX12 P18054 1/20 0.43
KMT2A Q03164 1/20 0.43
CES2 O00748 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
SORT1 Q99523 6/20 0.42
MRGPRX4 Q96LA9 2/20 0.41
TAS2R14 Q9NYV8 1/20 0.41
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40

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
SCHEMBL3417720 0.94 KDM4E (0.70) KDM4EALDH1A1HPGDHSD17B10USP2
Triflusal SCHEMBL29435449 0.88 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10USP2
Triflusal SCHEMBL136423 0.88 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10USP2
Triflusal SCHEMBL29435450 0.88 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10USP2
Triflusal SCHEMBL4960641 0.86 KDM4E (0.97) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL19294141 0.81 KDM4E (0.67) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL422034 0.81 ALDH1A1 (0.71) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL19294163 0.81 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10USP2
Triflusal SCHEMBL2322418 0.80 KDM4E (0.84) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL4305509 0.78 CYP2C19 (0.48) KDM4EALDH1A1HPGDHSD17B10USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110060156-A1 Pyruvate Derivatives with Neuroprotective Effect, Process for Preparing the Same and Pharmaceutical Composition Comprising the Same S.H. PHARMA., LTD. (KR) 2011-03-10 US claimed
WO-2009108017-A2 NEW PYRUVATE DERIVATIVES WITH NEUROPROTECTIVE EFFECT, PROCESS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME S.H. PHARMA., LTD (KR) 2009-09-03 WO claimed
US-20110060156-A1 Pyruvate Derivatives with Neuroprotective Effect, Process for Preparing the Same and Pharmaceutical Composition Comprising the Same S.H. PHARMA., LTD. (KR) 2011-03-10 US disclosed
WO-2009108017-A2 NEW PYRUVATE DERIVATIVES WITH NEUROPROTECTIVE EFFECT, PROCESS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME S.H. PHARMA., LTD (KR) 2009-09-03 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-20110060156-A1 Pyruvate Derivatives with Neuroprotective Effect, Process for Preparing the Same and Pharmaceutical Composition Comprising the Same PC, PDK1, PDK2 KDM4E 1514/4885ALDH1A1 582/4885HPGD 170/4885

“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.