SCHEMBL5133153

SCHEMBL5133153

O=S(=O)(CCN1CC[C@H](Cc2ccccc2)[C@H](O)C1)c1cc[c]cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
GAA P10253 1/20 0.38
HTR2A P28223 2/20 0.37
KCNH2 Q12809 2/20 0.37
PYGL P06737 1/20 0.37
CCR5 P51681 1/20 0.37
HTR2C P28335 1/20 0.36
GBA1 P04062 1/20 0.36
CYP46A1 Q9Y6A2 1/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
LTA4H P09960 2/20 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
SCHEMBL5133156 1.00 HTR7 (0.42) HTR7MEN1KMT2AGRIN1GRIN2B
SCHEMBL5047717 0.88 MMP2 (0.44) HTR7MEN1KMT2AGRIN1GRIN2B
SCHEMBL5047712 0.88 MMP2 (0.44) HTR7MEN1KMT2AGRIN1GRIN2B
SCHEMBL5505396 0.88 MMP2 (0.44) HTR7MEN1KMT2AGRIN1GRIN2B
SCHEMBL14300258 0.83 GRIN1 (0.41) HTR7MEN1KMT2AGRIN1GRIN2B
SCHEMBL5041768 0.83 GRIN1 (0.41) HTR7MEN1KMT2AGRIN1GRIN2B
SCHEMBL5041992 0.83 GRIN1 (0.41) HTR7MEN1KMT2AGRIN1GRIN2B
SCHEMBL5038040 0.83 KMT2A (0.41) HTR7MEN1KMT2AGRIN1GRIN2B
SCHEMBL7653401 0.81 GBA1 (0.37) HTR7GRIN1GRIN2BPYGLGBA1
SCHEMBL7653612 0.80 KMT2A (0.39) HTR7MEN1KMT2AGRIN1GRIN2B

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
EP-1313703-B1 PRODRUGS TO NMDA RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2008-02-13 EP claimed
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 HTR7 802/4885MEN1 4382/4885KMT2A 2738/4885

“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.