Sugi Predict

Sugi Predict / Compounds / SCHEMBL7653612

SCHEMBL7653612

SCHEMBL7653612

O=C(O)CCC(=O)Oc1ccc(S(=O)(=O)CCN2CC[C@H](Cc3ccccc3)[C@H](O)C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.39
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ S1PR1 P21453 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ LTA4H P09960 3/20 0.37
▸ GAA P10253 2/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CYP46A1 Q9Y6A2 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL5038040 0.97 KMT2A (0.41) KMT2AGRIN1GRIN2BALDH1A1LTA4H
SCHEMBL5047843 0.86 L3MBTL1 (0.39) KMT2AGRIN1GRIN2BALDH1A1LTA4H
SCHEMBL5505396 0.83 MMP2 (0.44) KMT2AGRIN1GRIN2BALDH1A1GAA
SCHEMBL5047712 0.83 MMP2 (0.44) KMT2AGRIN1GRIN2BALDH1A1GAA
SCHEMBL5047717 0.83 MMP2 (0.44) KMT2AGRIN1GRIN2BALDH1A1GAA
SCHEMBL5041992 0.83 GRIN1 (0.41) KMT2AGRIN1GRIN2BALDH1A1LTA4H
SCHEMBL14300258 0.83 GRIN1 (0.41) KMT2AGRIN1GRIN2BALDH1A1LTA4H
SCHEMBL5041768 0.83 GRIN1 (0.41) KMT2AGRIN1GRIN2BALDH1A1LTA4H
SCHEMBL5041905 0.82 GAA (0.37) KMT2AGRIN1GRIN2BALDH1A1LTA4H
SCHEMBL5043168 0.82 GAA (0.37) KMT2AGRIN1GRIN2BALDH1A1LTA4H

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
US-6407235-B1 A NMDA (N-METHYL-D-ASPARTATE)-RECEPTOR-SUBTYPE SELECTIVE BLOCKERS; PRODRUGS HAVE IMPROVED SOLUBILITY AND ARE HYDROLYZED IN VIVO; FOR EXAMPLE, THE 4-AMINOMETHYL-BENZOIC ACID ESTER OF THE PHENOL, OR THE PHOSPHATE ESTER HOFFMANN-LA ROCHE INC. 2002-06-18 — — US claimed
US-6407235-B1 A NMDA (N-METHYL-D-ASPARTATE)-RECEPTOR-SUBTYPE SELECTIVE BLOCKERS; PRODRUGS HAVE IMPROVED SOLUBILITY AND ARE HYDROLYZED IN VIVO; FOR EXAMPLE, THE 4-AMINOMETHYL-BENZOIC ACID ESTER OF THE PHENOL, OR THE PHOSPHATE ESTER HOFFMANN-LA ROCHE INC. 2002-06-18 — — US disclosed
US-20020040037-A1 Prodrug acid esters of [2-(4-benzyl-3-hydroxy-piperidin-1-yl)-ethansulfonyl]phenol EVOTEC INTERNATIONAL GMBH (DE) 2002-04-04 — — 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-20020040037-A1 Prodrug acid esters of [2-(4-benzyl-3-hydroxy-piperidin-1-yl)-ethansulfonyl]phenol HAO2, CYP2B6, CBR1 KMT2A 2738/4885GRIN1 3691/4885GRIN2B 2694/4885

“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.