SCHEMBL4261289

SCHEMBL4261289

CC(C)(C)OC(=O)NC1CNC(=O)CC1NC(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 4/20 0.48
CPB1 P15086 2/20 0.47
SYK P43405 1/20 0.47
EPHX2 P34913 1/20 0.45
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
CTSL P07711 2/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL207171 1.00 NAAA (0.48) NAAACPB1SYKEPHX2ALDH1A1
SCHEMBL4264989 1.00 NAAA (0.48) NAAACPB1SYKEPHX2ALDH1A1
SCHEMBL27621623 0.95 SYK (0.44) NAAACPB1SYKEPHX2CTSL
SCHEMBL4262525 0.83 CPB1 (0.48) NAAACPB1SYKALDH1A1GAA
SCHEMBL210981 0.83 CPB1 (0.48) NAAACPB1SYKALDH1A1GAA
SCHEMBL4262520 0.83 CPB1 (0.48) NAAACPB1SYKALDH1A1GAA
SCHEMBL3563686 0.82 KMT2A (0.56) CPB1SYKALDH1A1GAACTSL
SCHEMBL22617362 0.82 CPB1 (0.54) CPB1SYKALDH1A1GAACTSL
SCHEMBL4033681 0.82 CPB1 (0.54) CPB1SYKALDH1A1GAACTSL
SCHEMBL4364887 0.81 GAA (0.44) EPHX2GAA

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 6 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
CN-100545160-C Diamine derivative DAIICHI SEIYAKU CO (JP) 2009-09-30 CN disclosed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 US disclosed
CN-1894238-A Diamine derivatives DAIICHI SEIYAKU CO (JP) 2007-01-10 CN 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
CN-1826333-A Diamine derivatives DAIICHI SEIYAKU CO (JP) 2006-08-30 CN 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 NAAA 1361/4885CPB1 2282/4885SYK 2498/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 NAAA 2353/4885CPB1 2714/4885SYK 1668/4885

“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.