SCHEMBL5548141

SCHEMBL5548141

COC(=O)c1ccc(CN(C=O)OC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.47
ALDH1A1 P00352 2/20 0.45
CYP4A11 Q02928 2/20 0.44
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CYP4F2 P78329 1/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 2/20 0.41
RAB9A P51151 1/20 0.41
NOTUM Q6P988 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA12 O43570 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
SCHEMBL5544978 0.87 PTPN11 (0.41) LOXL2ALDH1A1CA1CA2CA12
SCHEMBL6197162 0.86 LCK (0.39) LOXL2ALDH1A1CYP4A11CA1CA2
SCHEMBL6392545 0.77 MAOA (0.42) ALDH1A1HPGDNPC1GAARAB9A
SCHEMBL5780510 0.77 ALDH1A1 (0.38) ALDH1A1HPGDSMN1; SMN2HSD17B10LMNA
SCHEMBL643420 0.77 MAPT (0.38) LOXL2ALDH1A1HPGDNPC1TSHR
SCHEMBL7763429 0.77 MEN1 (0.41) ALDH1A1NPC1TSHRLMNARAB9A
SCHEMBL13685302 0.77 LPL (0.41) CA1CA2KDM4E
SCHEMBL6376616 0.75 PPARA (0.44) CYP4A11CA2CYP4F2LMNA
SCHEMBL403826 0.75 TAAR1 (0.47) GAATSHRLMNA
SCHEMBL3243225 0.74 RAB9A (0.40) ALDH1A1KDM4ENPC1GAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
EP-1031563-B1 SULFONYL DERIVATIVES DAIICHI SEIYAKU CO (JP) 2005-12-28 EP disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
US-6747023-B1 INHIBITORS FOR ACTIVATED COAGULATION FACTOR X, COAGULATION SUPPRESSORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 US disclosed
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 US disclosed
US-20030232808-A1 Sulfonyl derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-12-18 US disclosed
US-6525042-B1 Inhibits an activated coagulation factor FXa; anticoagulant, antithrombotic DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-02-25 US disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 EP disclosed
EP-1031563-A1 SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-08-30 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 (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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S LOXL2 4569/4885ALDH1A1 4310/4885CYP4A11 3077/4885
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 LOXL2 2044/4885ALDH1A1 1316/4885CYP4A11 1281/4885
US-20030232808-A1 Sulfonyl derivatives SULT1E1, SULT2A1, SULT1A1 LOXL2 957/4885ALDH1A1 2493/4885CYP4A11 1574/4885

“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.