SCHEMBL2534965

SCHEMBL2534965

CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)[C@H](NC(=O)OCc2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.47
STS P08842 1/20 0.44
USP30 Q70CQ3 1/20 0.43
P2RX7 Q99572 7/20 0.42
CPB1 P15086 2/20 0.41
SYK P43405 1/20 0.41
BACE1 P56817 1/20 0.41
BACE2 Q9Y5Z0 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CTSK P43235 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL18342270 1.00 PDE4B (0.47) PDE4BSTSUSP30P2RX7CPB1
SCHEMBL20479586 1.00 PDE4B (0.47) PDE4BSTSUSP30P2RX7CPB1
SCHEMBL20479584 1.00 PDE4B (0.47) PDE4BSTSUSP30P2RX7CPB1
SCHEMBL16667797 0.92 STS (0.48) PDE4BSTSUSP30P2RX7CPB1
SCHEMBL16676906 0.92 STS (0.48) PDE4BSTSUSP30P2RX7CPB1
SCHEMBL16667796 0.92 STS (0.48) PDE4BSTSUSP30P2RX7CPB1
SCHEMBL13737268 0.88 PDE4B (0.50) PDE4BSTSUSP30CPB1SYK
SCHEMBL13737266 0.88 PDE4B (0.50) PDE4BSTSUSP30CPB1SYK
SCHEMBL4374791 0.88 CPB1 (0.46) CPB1CTSKCA1CA2ACHE
SCHEMBL20479939 0.88 CPB1 (0.46) CPB1CTSKCA1CA2ACHE

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-8044068-B2 Aminopyrrolidine compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-10-25 US disclosed
US-8044068-B2 Aminopyrrolidine compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-10-25 US disclosed
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 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-20090291940-A1 AMINOPYRROLIDINE COMPOUND MC4R, MC5R, MC2R PDE4B 805/4885STS 4690/4885USP30 4573/4885

“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.