SCHEMBL2517985

SCHEMBL2517985

O=C(O)c1ccccc1C[C@@H]1C[C@@H](F)[C@@H](F)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.50
FOLH1 Q04609 2/20 0.46
TSHR P16473 1/20 0.42
ALDH1A1 P00352 5/20 0.42
ALOX15 P16050 1/20 0.42
GAA P10253 1/20 0.41
HIF1A Q16665 2/20 0.39
CYP2C9 P11712 1/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
DCLRE1A Q6PJP8 1/20 0.38
DCLRE1B Q9H816 1/20 0.38
NR4A1 P22736 1/20 0.38
NR4A2 P43354 1/20 0.38
NR4A3 Q92570 1/20 0.38
FABP3 P05413 1/20 0.38
MAPT P10636 1/20 0.38
BRD4 O60885 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL2018862 0.85 GRIK1 (0.51) GRIK1FOLH1TSHRALDH1A1ALOX15
SCHEMBL3647579 0.82 GRIK1 (0.58) GRIK1FOLH1TSHRALDH1A1ALOX15
SCHEMBL547637 0.82 GRIK1 (0.58) GRIK1FOLH1TSHRALDH1A1ALOX15
SCHEMBL8487408 0.79 GRIK1 (0.49) GRIK1FOLH1TSHRALDH1A1ALOX15
SCHEMBL8486506 0.78 GRIK1 (0.46) GRIK1FOLH1TSHRALDH1A1ALOX15
SCHEMBL7298560 0.78 PPM1D (0.53) GRIK1FOLH1TSHRALDH1A1ALOX15
SCHEMBL18043819 0.73 CYP2C9 (0.50) GRIK1FOLH1ALDH1A1GAACYP2C9
SCHEMBL15058447 0.73 SCN1A (0.50) GRIK1ALDH1A1CYP2C9
SCHEMBL2289368 0.72 FOLH1 (0.49) GRIK1FOLH1TSHRALDH1A1ALOX15
SCHEMBL10514159 0.72 ALDH1A1 (0.48) GRIK1ALDH1A1CYP2C9BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034819-B2 Glucokinase activator KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-10-11 US disclosed
US-20100099671-A1 GLUCOKINASE ACTIVATOR TEIJIN LIMITED (JP) 2010-04-22 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-20100099671-A1 GLUCOKINASE ACTIVATOR GCK, GCKR, GALK1 GRIK1 268/4885FOLH1 2133/4885TSHR 1402/4885

“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.