SCHEMBL2332025

SCHEMBL2332025

CC(C)(C)OC(=O)CC1CN(C(=O)OC(C)(C)C)CCC12CO2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NR1H2 P55055 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ RECQL P46063 1/20 0.36
▸ DDB1 Q16531 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ GPR119 Q8TDV5 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ NAMPT P43490 1/20 0.34
▸ EPHX1 P07099 1/20 0.34

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
SCHEMBL2252655 0.82 USP2 (0.38) USP2SMN1; SMN2NR1H2MEN1ALDH1A1
SCHEMBL15544926 0.79 USP2 (0.45) USP2SMN1; SMN2NR1H2MEN1ALDH1A1
SCHEMBL17869392 0.78 USP2 (0.44) USP2SMN1; SMN2NR1H2MEN1ALDH1A1
SCHEMBL17869750 0.77 USP2 (0.43) USP2SMN1; SMN2NR1H2MEN1ALDH1A1
SCHEMBL20913835 0.73 NR1H2 (0.40) USP2SMN1; SMN2NR1H2MEN1ALDH1A1
SCHEMBL26084714 0.73 GPR119 (0.37) USP2SMN1; SMN2NR1H2MEN1ALDH1A1
SCHEMBL2348311 0.72 NR1H2 (0.49) USP2SMN1; SMN2NR1H2MEN1ALDH1A1
SCHEMBL28569492 0.72 NR1H2 (0.42) USP2SMN1; SMN2NR1H2MEN1ALDH1A1
SCHEMBL31588543 0.72 NR1H2 (0.48) USP2SMN1; SMN2NR1H2MEN1ALDH1A1
SCHEMBL31189316 0.72 NR1H2 (0.48) USP2SMN1; SMN2NR1H2MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7999115-B2 Spiro antibiotic derivatives ACTELION PHARMACEUTICAL LTD. (SE) 2011-08-16 — — US disclosed
EP-2066678-B1 SPIRO ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-02-10 — — EP disclosed
US-20090270375-A1 SPIRO ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2009-10-29 — — US disclosed
EP-2066678-A1 SPIRO ANTIBIOTIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-06-10 — — EP disclosed
WO-2008026172-A1 SPIRO ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-03-06 — — 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-20090270375-A1 SPIRO ANTIBIOTIC DERIVATIVES NR0B1, NRDC, NR4A1 USP2 2824/4885SMN1; SMN2 3376/4885NR1H2 19/4885

“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.

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