SCHEMBL4899476

SCHEMBL4899476

[CH2]c1ccc(OCC(=O)OC)c(Cl)c1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.64
TSHR P16473 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
GAA P10253 1/20 0.54
HTT P42858 1/20 0.54
MAPT P10636 1/20 0.51
TDP1 Q9NUW8 3/20 0.50
ALDH1A1 P00352 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
PTGDR Q13258 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.48
GLA P06280 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
2,4-Dichlorophenoxyacetic Acid, Methyl Ester SCHEMBL5004223 0.84 MAPT (0.70) LMNATSHRSMN1; SMN2GAAHTT
SCHEMBL4900465 0.82 TDP1 (0.70) TSHRSMN1; SMN2MAPTTDP1PTGDR
SCHEMBL19311844 0.81 TSHR (0.68) LMNATSHRSMN1; SMN2GAAHTT
SCHEMBL3273629 0.81 LMNA (0.64) LMNATSHRSMN1; SMN2GAAHTT
SCHEMBL4860695 0.80 LMNA (0.62) LMNATSHRSMN1; SMN2GAAHTT
SCHEMBL7778630 0.80 MAPT (0.66) LMNATSHRSMN1; SMN2GAAHTT
2,4,5-Trichlorophenoxyacetic Acid, Methyl Ester SCHEMBL29561046 0.78 LMNA (1.00) LMNATSHRSMN1; SMN2GAAHTT
SCHEMBL2117921 0.78 LMNA (0.59) LMNATSHRSMN1; SMN2MAPTTDP1
SCHEMBL20927488 0.78 TSHR (0.67) LMNATSHRSMN1; SMN2GAAHTT
SCHEMBL16741023 0.78 LMNA (0.59) LMNATSHRSMN1; SMN2GAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006078698-A1 2-IMIDAZOLONE AND 2-IMIDAZOLIDINONE HETEROCYCLIC INHIBITORS OF TYROSINE PHOSPHATASES CENGENT THERAPEUTICS, INC. (US) 2006-07-27 WO claimed
US-20080070867-A1 2-Imidazolone and 2-Imidazolidinone Heterocyclic Inhibitors of Tyrosine Phosphatases METABASIS THERAPEUTICS, INC. (US) 2008-03-20 US disclosed
WO-2006078698-A1 2-IMIDAZOLONE AND 2-IMIDAZOLIDINONE HETEROCYCLIC INHIBITORS OF TYROSINE PHOSPHATASES CENGENT THERAPEUTICS, INC. (US) 2006-07-27 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-20080070867-A1 2-Imidazolone and 2-Imidazolidinone Heterocyclic Inhibitors of Tyrosine Phosphatases PPM1B, PPM1D, PTPRS LMNA 3553/4885TSHR 1439/4885SMN1; SMN2 2338/4885

“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.