SCHEMBL21040545

SCHEMBL21040545

C/C(=C\C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC(=O)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
RECQL P46063 1/20 0.42
EPHX1 P07099 1/20 0.42
GPR119 Q8TDV5 8/20 0.40
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
THRB P10828 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL21039941 1.00 HPGD (0.44) HPGDRECQLEPHX1GPR119USP2
SCHEMBL25547375 0.83 HPGD (0.50) HPGDRECQLEPHX1GPR119USP2
SCHEMBL21039940 0.82 HPGD (0.49) HPGDRECQLEPHX1GPR119USP2
SCHEMBL21001915 0.82 HPGD (0.49) HPGDRECQLEPHX1GPR119USP2
SCHEMBL20060955 0.82 HPGD (0.44) HPGDRECQLEPHX1GPR119USP2
SCHEMBL4437414 0.82 HPGD (0.44) HPGDRECQLEPHX1GPR119USP2
SCHEMBL22284199 0.82 HPGD (0.44) HPGDRECQLEPHX1GPR119USP2
SCHEMBL741520 0.80 EPHX1 (0.54) HPGDRECQLEPHX1GPR119USP2
SCHEMBL21002029 0.79 KDM4E (0.50) GPR119KDM4E
SCHEMBL17109787 0.77 HPGD (0.50) HPGDRECQLEPHX1GPR119USP2

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 HPGD 285/4885RECQL 4506/4885EPHX1 2418/4885
US-20210198235-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF THPO, PIR, PAK6 HPGD 73/4885RECQL 4108/4885EPHX1 2324/4885

“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.