SCHEMBL6486889

SCHEMBL6486889

N[C@@H](CCC(=O)O)C(=O)Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
SLC1A3 P43003 2/20 0.47
GRM8 O00222 1/20 0.47
GRM6 O15303 1/20 0.47
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GSR P00390 1/20 0.47
GRIK1 P39086 1/20 0.47
GRM5 P41594 1/20 0.47
GRIA1 P42261 1/20 0.47
GRIA2 P42262 1/20 0.47
GRIA3 P42263 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
GRIA4 P48058 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIK2 Q13002 1/20 0.47
GRIK3 Q13003 1/20 0.47
GRIN2B Q13224 1/20 0.47

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
SCHEMBL6486886 1.00 CYP1A2 (0.47) CYP1A2SLC1A3GRM8GRM6GRIN2D
Ethylene Glycol SCHEMBL27914474 0.95 LTA4H (0.44) CYP1A2SLC1A3GRM8GRM6GRIN2D
SCHEMBL1459632 0.88 KMT2A (0.48) CYP1A2SLC1A3LTA4HATML3MBTL1
SCHEMBL1810782 0.88 PRSS1 (0.47) SLC1A3LTA4HATML3MBTL1ALDH1A1
SCHEMBL7780251 0.88 KMT2A (0.48) CYP1A2SLC1A3LTA4HATML3MBTL1
SCHEMBL23111345 0.87 LTA4H (0.43) CYP1A2SLC1A3GRM8GRM6GRIN2D
SCHEMBL29237379 0.85 PDE4B (0.46) CYP1A2SLC1A3GRM8GRM6GRIN2D
SCHEMBL28120129 0.84 ATM (0.44) SLC1A3LTA4HATML3MBTL1
SCHEMBL28271550 0.84 ALDH1A1 (0.49) SLC1A3SLC1A1LTA4HATML3MBTL1
Sulfuric Acid SCHEMBL11047947 0.83 KMT2A (0.43) CYP1A2SLC1A3LTA4HATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103298827-B Cyclic depsipeptides 诺华股份有限公司 2017-05-31 CN disclosed
US-20050215513-A1 Use of an antiviral compound linked to one or more phosphonate groups in hepatitis C treatment; improved bioavailability, side effect reduction; antiviral compound is a 2-(2-isopropylaminothiazol-4-yl)-4-(tricyclic fused ring)-7-methoxy-quinoline compound GILEAD SCIENCES, INC. 2005-09-29 US disclosed
EP-1135398-A1 CYANOPHOSPHONAMIDES AND METHOD FOR PREPARATION Monsanto Technology LLC (US) 2001-09-26 EP disclosed
US-6218563-B1 Cyanophosphonamides and method for preparation MONSANTO COMPANY 2001-04-17 US disclosed
WO-2000032611-A1 CYANOPHOSPHONAMIDES AND METHOD FOR PREPARATION MONSANTO TECHNOLOGY LLC (US) 2000-06-08 WO disclosed
EP-0369817-A2 Bacillus strains OMNIGENE BIOPRODUCTS, INC. (US) 1990-05-23 EP 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-20050215513-A1 Use of an antiviral compound linked to one or more phosphonate groups in hepatitis C treatment; improved bioavailability, side effect reduction; antiviral compound is a 2-(2-isopropylaminothiazol-4-yl)-4-(tricyclic fused ring)-7-methoxy-quinoline compound EIF2AK2, PNP, NUDT1 CYP1A2 1389/4885SLC1A3 2720/4885GRM8 4006/4885

“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.