SCHEMBL5544978

SCHEMBL5544978

COC(=O)c1ccc2cc(CN(C=O)OC(C)(C)C)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.41
LCK P06239 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
NR1H4 Q96RI1 6/20 0.38
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
DHODH Q02127 2/20 0.37
POLB P06746 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
HGFAC Q04756 1/20 0.36
PLAU P00749 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CA12 O43570 1/20 0.36
CA7 P43166 1/20 0.36
XDH P47989 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
MAPK8 P45983 1/20 0.36

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
SCHEMBL6197162 0.96 LCK (0.39) PTPN11LCKLOXL2NR1H4DHODH
SCHEMBL5548141 0.87 LOXL2 (0.47) LOXL2CA1CA2ALDH1A1CA12
SCHEMBL5548483 0.85 LOXL2 (0.52) LOXL2ALDH1A1
SCHEMBL7440151 0.74 PTPN11 (0.53) PTPN11LCKLOXL2CYP19A1CYP11B1
SCHEMBL30917343 0.74 PTPN11 (0.53) PTPN11LCKLOXL2CYP19A1CYP11B1
SCHEMBL12015399 0.74 PTPN11 (0.55) PTPN11LCKLOXL2CYP19A1CYP11B1
SCHEMBL6772434 0.73 HTR7 (0.36) ALDH1A1
SCHEMBL5776604 0.72 PTPN11 (0.54) PTPN11LCKLOXL2CYP19A1CYP11B1
SCHEMBL16449828 0.72 PTPN11 (0.51) PTPN11LCKLOXL2CYP19A1CYP11B1
SCHEMBL5604152 0.72 MEP1B (0.46) NR1H4

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 PTPN11 4497/4885LCK 3104/4885LOXL2 4569/4885
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 PTPN11 2617/4885LCK 4575/4885LOXL2 2044/4885
US-20030232808-A1 Sulfonyl derivatives SULT1E1, SULT2A1, SULT1A1 PTPN11 991/4885LCK 3878/4885LOXL2 957/4885

“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.