SCHEMBL3493115

SCHEMBL3493115

CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cc(Cl)ccc1S2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
STS P08842 4/20 0.41
ANO1 Q5XXA6 1/20 0.40
POLB P06746 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP3A5 P20815 2/20 0.39
BUB1 O43683 1/20 0.38
VEGFA P15692 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
F13A1 P00488 1/20 0.38
TGM2 P21980 1/20 0.38
TGM1 P22735 1/20 0.38
TGM3 Q08188 1/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
DPP4 P27487 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
SCHEMBL3493112 1.00 MEN1 (0.44) MEN1KMT2ASTSANO1POLB
SCHEMBL3492718 0.91 MEN1 (0.44) MEN1KMT2ASTSANO1POLB
SCHEMBL3492720 0.91 MEN1 (0.44) MEN1KMT2ASTSANO1POLB
SCHEMBL3494968 0.88 GPR119 (0.41) MEN1KMT2APOLBBUB1
SCHEMBL3494969 0.88 GPR119 (0.41) MEN1KMT2APOLBBUB1
SCHEMBL3492205 0.87 GPR119 (0.40) BUB1
SCHEMBL3493583 0.87 HDAC2 (0.41) MEN1KMT2ABUB1
SCHEMBL3492209 0.87 GPR119 (0.40) BUB1
Water SCHEMBL3492980 0.87 GPR119 (0.41) MEN1KMT2APOLBBUB1
SCHEMBL3493586 0.87 HDAC2 (0.41) MEN1KMT2ABUB1

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-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
EP-2123652-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-11-25 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-20100113418-A1 HETEROCYCLIC COMPOUND ACACA, ACAT1, CPT1B MEN1 1811/4885KMT2A 1419/4885STS 241/4885

“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.