SCHEMBL7016338

SCHEMBL7016338

CC(C)(C)OC(=O)N1CCC(NCCC(=O)OCc2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
HTT P42858 1/20 0.53
STS P08842 1/20 0.52
MAPT P10636 3/20 0.51
MAPK1 P28482 3/20 0.51
NPSR1 Q6W5P4 3/20 0.51
NTSR1 P30989 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 2/20 0.50
ALDH1A1 P00352 1/20 0.50
KDM4E B2RXH2 2/20 0.49
GPR119 Q8TDV5 2/20 0.49
PKM P14618 1/20 0.49
CHRM2 P08172 1/20 0.48
CHRM5 P08912 1/20 0.48
CHRM3 P20309 1/20 0.48

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
SCHEMBL1827201 0.89 HTT (0.57) L3MBTL1HTTSTSMAPTMAPK1
SCHEMBL2433452 0.88 USP30 (0.54) L3MBTL1HTTSTSMEN1KMT2A
SCHEMBL2433449 0.88 USP30 (0.54) L3MBTL1HTTSTSMEN1KMT2A
SCHEMBL8669009 0.87 KDM4E (0.54) L3MBTL1HTTSTSMAPTMAPK1
SCHEMBL31520840 0.85 STS (0.53) L3MBTL1HTTSTSMAPTMAPK1
SCHEMBL2857988 0.84 HTT (0.62) HTTNPSR1MEN1KMT2ANPC1
SCHEMBL3170447 0.84 KDM4E (0.56) HTTSTSMEN1KMT2ANPC1
SCHEMBL2106890 0.84 STS (0.57) STSALDH1A1KDM4EGPR119PKM
SCHEMBL28709401 0.83 HTT (0.53) L3MBTL1HTTSTSMAPTMAPK1
SCHEMBL2855372 0.83 KDM4E (0.57) L3MBTL1HTTMAPTMAPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030187023-A1 Sulfone derivatives, process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
EP-1302462-A1 SULFONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-04-16 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-20030187023-A1 Sulfone derivatives, process for their production and use thereof SULT1E1, RRS1, SHH L3MBTL1 1920/4885HTT 864/4885STS 6/4885

“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.