SCHEMBL20201445

SCHEMBL20201445

C=CCC(C(=O)O)P(C)(C)=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.38
GRIK2 Q13002 2/20 0.38
FOLH1 Q04609 1/20 0.38
CYP2C19 P33261 1/20 0.37
CPA1 P15085 1/20 0.37
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
GGH Q92820 1/20 0.32
ABCC4 O15439 1/20 0.30
MAPT P10636 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
SCHEMBL9229673 0.84 FOLH1 (0.48) GRIK1GRIK2FOLH1CYP2C19CPA1
SCHEMBL4122899 0.78 GRIK1 (0.35) GRIK1GRIK2FOLH1CYP2C19CPA1
SCHEMBL20201438 0.76 ALDH1A1 (0.39) CYP2C19CPA1
SCHEMBL4117495 0.75 POLB (0.38) GRIK1GRIK2CYP2C19CPA1MAPT
SCHEMBL2988982 0.72 FOLH1 (0.43) FOLH1GGH
SCHEMBL4341072 0.70 FOLH1 (0.41) FOLH1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4007537 0.70 FOLH1 (0.46) FOLH1GGHMAPT
Ammonia Solution, Strong SCHEMBL27862237 0.68 FOLH1 (0.40) FOLH1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31636 0.68 GRIK1 (0.48) GRIK1GRIK2CYP2C19CPA1ABCC4
SCHEMBL2536422 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180147219-A1 ENOLASE INHIBITORS AND METHODS OF TREATMENT THEREWITH BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2018-05-31 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-20180147219-A1 ENOLASE INHIBITORS AND METHODS OF TREATMENT THEREWITH ENO1, ECE1, ECI1 GRIK1 1845/4885GRIK2 2906/4885FOLH1 694/4885

“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.