SCHEMBL3461675

SCHEMBL3461675

CC(C)(C)OC(=O)N1CCC(N2CCCS2(O)O)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
EPHX1 P07099 1/20 0.48
RECQL P46063 1/20 0.45
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GPR119 Q8TDV5 5/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
THRB P10828 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
PREP P48147 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HCAR1 Q9BXC0 1/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL3461672 0.86 HPGD (0.50) HPGDEPHX1RECQLUSP2SMN1; SMN2
SCHEMBL22595464 0.82 HPGD (0.52) HPGDEPHX1RECQLUSP2SMN1; SMN2
SCHEMBL17128329 0.75 HPGD (0.62) HPGDEPHX1RECQLUSP2SMN1; SMN2
SCHEMBL994288 0.75 HPGD (0.58) HPGDEPHX1RECQLUSP2SMN1; SMN2
SCHEMBL3160275 0.74 HPGD (0.65) HPGDEPHX1RECQLUSP2SMN1; SMN2
SCHEMBL5514832 0.74 HPGD (0.65) HPGDEPHX1RECQLUSP2SMN1; SMN2
SCHEMBL29035931 0.73 HPGD (0.59) HPGDEPHX1RECQLUSP2SMN1; SMN2
SCHEMBL31551882 0.73 GPR119 (0.59) HPGDEPHX1RECQLUSP2SMN1; SMN2
SCHEMBL4987189 0.73 HPGD (0.51) HPGDEPHX1RECQLUSP2SMN1; SMN2
SCHEMBL25901635 0.72 NR1H2 (0.42) HPGDEPHX1RECQLUSP2SMN1; SMN2

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-7820673-B2 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-26 US disclosed
US-20070093501-A1 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-26 US disclosed
EP-1695961-A1 UREA DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2006-08-30 EP 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-20070093501-A1 Urea derivative, process for producing the same, and use F2, URB2, F12 HPGD 588/4885EPHX1 2064/4885RECQL 1424/4885

“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.