SCHEMBL206613

SCHEMBL206613

CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)OCC[Si](C)(C)C)CC[C@@H]1NC(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.48
HSD11B1 P28845 1/20 0.44
HTT P42858 1/20 0.43
SYK P43405 1/20 0.43
CTSK P43235 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
GPR119 Q8TDV5 1/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
NTSR1 P30989 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CPB1 P15086 2/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CYP2C19 P33261 1/20 0.40

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
SCHEMBL28683470 0.94 MEN1 (0.47) PDE4BHSD11B1HTTCTSKKMT2A
SCHEMBL16667958 0.94 MEN1 (0.47) PDE4BHSD11B1HTTCTSKKMT2A
SCHEMBL16667957 0.94 MEN1 (0.47) PDE4BHSD11B1HTTCTSKKMT2A
SCHEMBL16096196 0.89 PDE4B (0.57) PDE4BHSD11B1HTTSYKCTSK
SCHEMBL207775 0.88 PDE4B (0.53) PDE4BHSD11B1HTTSYKCTSK
SCHEMBL3307301 0.87 KMT2A (0.41) PDE4BSYKCTSKKMT2AL3MBTL1
SCHEMBL4263739 0.85 PDE4B (0.49) PDE4BHSD11B1SYKCTSKKMT2A
SCHEMBL210039 0.85 PDE4B (0.49) PDE4BHSD11B1SYKCTSKKMT2A
SCHEMBL4268253 0.85 PDE4B (0.49) PDE4BHSD11B1SYKCTSKKMT2A
SCHEMBL208813 0.82 PDE4B (0.47) PDE4BHSD11B1CTSKKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088796-B2 Triamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-8088796-B2 Triamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM DAIICHI PHARMACEUTICAL CO., LTD (JP) 2009-11-12 US disclosed
US-20090239857-A1 TRIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-24 US disclosed
US-20090239857-A1 TRIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-24 US disclosed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 US 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 (3 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-20090239857-A1 TRIAMINE DERIVATIVE F2, F12, F3 PDE4B 3937/4885HSD11B1 1245/4885HTT 1692/4885
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL PDE4B 3784/4885HSD11B1 1142/4885HTT 2292/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 PDE4B 4357/4885HSD11B1 3154/4885HTT 3171/4885

“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.