SCHEMBL4266483

SCHEMBL4266483

COCC(=O)N1CC[C@@H](NC(=O)OCc2ccccc2)[C@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.49
CPB1 P15086 2/20 0.45
CTSK P43235 2/20 0.43
CTSL P07711 2/20 0.43
CTSB P07858 1/20 0.43
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSD11B1 P28845 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ACHE P22303 1/20 0.42
HTT P42858 1/20 0.42
DPP4 P27487 2/20 0.42
KCNH2 Q12809 2/20 0.42
DPP7 Q9UHL4 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL4261340 1.00 PDE4B (0.49) PDE4BCPB1CTSKCTSLCTSB
SCHEMBL4261333 1.00 PDE4B (0.49) PDE4BCPB1CTSKCTSLCTSB
SCHEMBL207775 0.89 PDE4B (0.53) PDE4BCPB1CTSKCTSLCTSB
SCHEMBL210039 0.88 PDE4B (0.49) PDE4BCPB1CTSKCTSLCTSB
SCHEMBL4268253 0.88 PDE4B (0.49) PDE4BCPB1CTSKCTSLCTSB
SCHEMBL4263739 0.88 PDE4B (0.49) PDE4BCPB1CTSKCTSLCTSB
SCHEMBL208456 0.87 PDE4B (0.49) PDE4BCPB1CTSKCTSLCTSB
SCHEMBL16096196 0.86 PDE4B (0.57) PDE4BCTSKKMT2AL3MBTL1HSD11B1
SCHEMBL208813 0.85 PDE4B (0.47) PDE4BCPB1CTSKCTSLCTSB
SCHEMBL210509 0.85 PDE4B (0.47) PDE4BCPB1CTSKCTSLCTSB

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-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM DAIICHI PHARMACEUTICAL CO., LTD (JP) 2009-11-12 US disclosed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 US disclosed
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-09 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 (2 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-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X F2, C1S, C9 PDE4B 4526/4885CPB1 2282/4885CTSK 3530/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 PDE4B 4357/4885CPB1 2714/4885CTSK 2971/4885

“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.