SCHEMBL3461672

SCHEMBL3461672

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 4/20 0.42
HCAR1 Q9BXC0 1/20 0.42
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
TP53 P04637 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
SCHEMBL22595464 0.96 HPGD (0.52) HPGDEPHX1RECQLUSP2SMN1; SMN2
SCHEMBL25901635 0.87 NR1H2 (0.42) HPGDEPHX1RECQLUSP2SMN1; SMN2
SCHEMBL3461675 0.86 HPGD (0.50) HPGDEPHX1RECQLUSP2SMN1; SMN2
SCHEMBL15770180 0.77 USP30 (0.43) HPGDEPHX1RECQLUSP2SMN1; SMN2
SCHEMBL337749 0.77 USP30 (0.43) HPGDEPHX1RECQLUSP2SMN1; SMN2
SCHEMBL13749420 0.77 CTSK (0.44) EPHX1L3MBTL1
SCHEMBL28830420 0.77 HPGD (0.47) HPGDEPHX1RECQLUSP2SMN1; SMN2
SCHEMBL994288 0.75 HPGD (0.58) HPGDEPHX1RECQLUSP2SMN1; SMN2
SCHEMBL17128329 0.75 HPGD (0.62) HPGDEPHX1RECQLUSP2SMN1; SMN2
SCHEMBL24765156 0.75 HPGD (0.57) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012176123-A1 3 - IMIDAZOLYL- INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2012-12-27 WO disclosed
WO-2012176123-A1 3 - IMIDAZOLYL- INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2012-12-27 WO disclosed
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.