SCHEMBL21040541

SCHEMBL21040541

CC1(/C=C/C(=O)OC(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 1/20 0.37
EPHX2 P34913 1/20 0.36
RECQL P46063 1/20 0.35
EPHX1 P07099 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
NR1H2 P55055 1/20 0.35
TSHR P16473 2/20 0.34
ALOX15 P16050 1/20 0.34
ATM Q13315 1/20 0.34
GPR119 Q8TDV5 1/20 0.33

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
SCHEMBL21644418 0.87 USP2 (0.43) USP2SMN1; SMN2HPGDEPHX2RECQL
SCHEMBL21644419 0.87 USP2 (0.43) USP2SMN1; SMN2HPGDEPHX2RECQL
SCHEMBL21001865 0.85 USP2 (0.41) USP2SMN1; SMN2HPGDEPHX2NR1H2
SCHEMBL21040540 0.84 USP2 (0.45) USP2SMN1; SMN2HPGDEPHX2RECQL
SCHEMBL3965738 0.79 USP2 (0.43) USP2SMN1; SMN2HPGDEPHX2RECQL
SCHEMBL3965735 0.79 USP2 (0.43) USP2SMN1; SMN2HPGDEPHX2RECQL
SCHEMBL1475537 0.77 USP2 (0.50) USP2SMN1; SMN2HPGDEPHX2RECQL
SCHEMBL15476025 0.77 USP2 (0.44) USP2SMN1; SMN2HPGDEPHX2RECQL
SCHEMBL15476024 0.77 USP2 (0.44) USP2SMN1; SMN2HPGDEPHX2RECQL
SCHEMBL24351334 0.76 USP2 (0.49) USP2SMN1; SMN2HPGDEPHX2RECQL

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-20210198235-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF AURANSA INC. 2021-07-01 US disclosed
US-20200377510-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF AURANSA INC. 2020-12-03 US disclosed
WO-2019103897-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF AURANSA INC. (US) 2019-05-31 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 (2 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-20200377510-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF SHARPIN, PIR, THPO USP2 3182/4885SMN1; SMN2 4475/4885HPGD 285/4885
US-20210198235-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF THPO, PIR, PAK6 USP2 3294/4885SMN1; SMN2 4277/4885HPGD 73/4885

“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.