SCHEMBL5548878

SCHEMBL5548878

COC(=O)c1ccc(O[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.55
USP30 Q70CQ3 1/20 0.54
ALDH1A1 P00352 1/20 0.51
CHEK2 O96017 2/20 0.51
PIK3CD O00329 3/20 0.48
PDE4B Q07343 3/20 0.47
PDE4A P27815 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
STS P08842 1/20 0.47
KMT2A Q03164 1/20 0.46
PIK3CA P42336 2/20 0.46
PIK3CB P42338 2/20 0.46
PIK3CG P48736 2/20 0.46

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
SCHEMBL28716248 1.00 GPR119 (0.55) GPR119USP30ALDH1A1CHEK2PIK3CD
SCHEMBL5548078 1.00 GPR119 (0.55) GPR119USP30ALDH1A1CHEK2PIK3CD
SCHEMBL240683 0.94 GPR119 (0.61) GPR119USP30ALDH1A1CHEK2PDE4B
SCHEMBL7379041 0.90 GPR119 (0.52) GPR119USP30ALDH1A1CHEK2PIK3CD
SCHEMBL240368 0.89 USP30 (0.58) GPR119USP30ALDH1A1CHEK2PIK3CD
SCHEMBL5544755 0.89 USP30 (0.58) GPR119USP30ALDH1A1CHEK2PIK3CD
SCHEMBL5545000 0.89 USP30 (0.58) GPR119USP30ALDH1A1CHEK2PIK3CD
SCHEMBL31142651 0.89 ALDH1A1 (0.60) GPR119USP30ALDH1A1PIK3CDPDE4B
SCHEMBL5542864 0.88 USP30 (0.53) GPR119USP30ALDH1A1PIK3CDPDE4B
SCHEMBL5548433 0.88 USP30 (0.53) GPR119USP30ALDH1A1PIK3CDPDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114163444-B Chimeric compound for androgen receptor protein targeted degradation, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2023-07-14 CN disclosed
CN-114163444-A Chimeric compound for targeted degradation of androgen receptor protein, preparation method thereof and application thereof in medicine 江苏恒瑞医药股份有限公司 2022-03-11 CN disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
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 GPR119 2654/4885USP30 2342/4885ALDH1A1 4310/4885
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 GPR119 3583/4885USP30 3755/4885ALDH1A1 1316/4885
US-20030232808-A1 Sulfonyl derivatives SULT1E1, SULT2A1, SULT1A1 GPR119 215/4885USP30 3419/4885ALDH1A1 2493/4885

“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.