Sugi Predict

Sugi Predict / Compounds / SCHEMBL4754096

SCHEMBL4754096

SCHEMBL4754096

CC(C)[C@H](NC(=O)CNC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 5/20 0.51
▸ CTSS P25774 4/20 0.51
▸ SDCBP O00560 1/20 0.51
▸ SDC2 P34741 1/20 0.51
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ KLK5 Q9Y337 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CTSL P07711 2/20 0.40
▸ CTSB P07858 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ APP P05067 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL4754099 1.00 CTSK (0.51) CTSKCTSSSDCBPSDC2KMT2A
SCHEMBL9980711 0.89 KMT2A (0.45) CTSKCTSSSDCBPSDC2KMT2A
SCHEMBL8903579 0.88 CTSS (0.53) CTSKCTSSSDCBPSDC2KMT2A
SCHEMBL30029784 0.88 CTSK (0.48) CTSKCTSSSDCBPSDC2KMT2A
SCHEMBL1057086 0.87 CTSS (0.54) CTSKCTSSSDCBPSDC2KMT2A
SCHEMBL25652880 0.86 KLK5 (0.50) CTSKCTSSSDCBPSDC2KMT2A
SCHEMBL16667727 0.86 KLK5 (0.50) CTSKCTSSSDCBPSDC2KMT2A
SCHEMBL23629905 0.86 CTSS (0.51) CTSKCTSSSDCBPSDC2KMT2A
SCHEMBL23629908 0.86 CTSS (0.51) CTSKCTSSSDCBPSDC2KMT2A
SCHEMBL27383483 0.85 CTSS (0.57) CTSKCTSSSDCBPSDC2KMT2A

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174569-A1 PROCESS PER PREPARING (3a,5a)-20-OXOPREGNAN-3-YL GLYCYL-L-VALINATE HYDROCHLORIDE INDUSTRIALE CHIMICA S.R.L. (IT) 2023-06-08 — — US claimed
EP-3773563-B1 PRODRUGS OF FUSED-BICYCLIC C5AR ANTAGONISTS CHEMOCENTRYX INC (US) 2024-10-16 — — EP disclosed
CN-114008058-B Prodrugs of CDK inhibitors for the treatment of cancer 润佳（苏州）医药科技有限公司 2024-07-05 — — CN disclosed
CN-111954525-B Prodrugs of fused bicyclic C5aR antagonists 凯莫森特里克斯股份有限公司 2023-12-26 — — CN disclosed
CN-111848579-B Prodrugs of 4- (2, 6-dichlorobenzoylamino) -N- (4-piperidinyl) -1H-pyrazole-3-carboxamide 君实润佳(上海)医药科技有限公司 2023-11-14 — — CN disclosed
US-11725020-B2 Prodrugs of a CDK inhibitor for treating cancers Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2023-08-15 — — US disclosed
CN-113999237-B Nucleoside prodrug and application thereof 润佳（苏州）医药科技有限公司 2023-08-08 — — CN disclosed
US-20230174569-A1 PROCESS PER PREPARING (3a,5a)-20-OXOPREGNAN-3-YL GLYCYL-L-VALINATE HYDROCHLORIDE INDUSTRIALE CHIMICA S.R.L. (IT) 2023-06-08 — — US disclosed
US-20230174569-A1 PROCESS PER PREPARING (3a,5a)-20-OXOPREGNAN-3-YL GLYCYL-L-VALINATE HYDROCHLORIDE INDUSTRIALE CHIMICA S.R.L. (IT) 2023-06-08 — — US disclosed
US-11608336-B2 Prodrugs of fused-bicyclic C5aR antagonists CHEMOCENTRYX, INC. (US) 2023-03-21 — — US disclosed
EP-3365341-A1 6-[5-AMINO-6-(2-ETHOXYETHOXY)-IMIDAZO[4,5-B]PYRIDIN-3-YL]-NICOTINONITRILE DERIVATIVES AND THEIR USE AS IRAK INHIBITORS Galapagos N.V. (BE) 2018-08-29 — — EP disclosed
WO-2017210246-A2 PENICILLAMINE CONJUGATES AND PARTICLES AND FORMULATIONS THEREOF TARVEDA THERAPEUTICS, INC. (US) 2017-12-07 — — WO disclosed
WO-2017176620-A2 SOLUBLE C5aR ANTAGONISTS CHEMOCENTRYX, INC. (US) 2017-10-12 — — WO disclosed
US-20170283446-A1 SOLUBLE C5aR ANTAGONISTS CHEMOCENTRYX, INC. 2017-10-05 — — US disclosed
US-20170283446-A1 SOLUBLE C5aR ANTAGONISTS CHEMOCENTRYX, INC. 2017-10-05 — — US disclosed
WO-2017067848-A1 6-[5-AMINO-6-(2-ETHOXYETHOXY)-IMIDAZO[4,5-B]PYRIDIN-3-YL]-NICOTINONITRILE DERIVATIVES AND THEIR USE AS IRAK INHIBITORS GALAPAGOS NV (BE) 2017-04-27 — — WO disclosed
US-20160115147-A1 PRO-DRUG COMPOUNDS PROXIMAGEN LIMITED (GB) 2016-04-28 — — US disclosed
US-20160016929-A1 PRO-DRUG COMPOUNDS PROXIMAGEN LIMITED 2016-01-21 — — US disclosed
US-20140275068-A1 PRO-DRUG COMPOUNDS PROXIMAGEN LIMITED (GB) 2014-09-18 — — US disclosed
EP-1911762-A1 Amino alcohols and their use as renin inhibitors Speedel Experimenta AG (CH) 2008-04-16 — — 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 (7 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-11608336-B2 Prodrugs of fused-bicyclic C5aR antagonists C5AR2, C5AR1, C3AR1 CTSK 1208/4885CTSS 910/4885SDCBP 3347/4885
US-20170283446-A1 SOLUBLE C5aR ANTAGONISTS C5AR1, C3AR1, C5AR2 CTSK 981/4885CTSS 753/4885SDCBP 2403/4885
US-20230174569-A1 PROCESS PER PREPARING (3a,5a)-20-OXOPREGNAN-3-YL GLYCYL-L-VALINATE HYDROCHLORIDE CYP3A5, CYP17A1, UGT1A3 CTSK 3189/4885CTSS 3465/4885SDCBP 4514/4885
US-20160115147-A1 PRO-DRUG COMPOUNDS GJA1, GJB2, AQP3 CTSK 2051/4885CTSS 2116/4885SDCBP 2236/4885
US-20160016929-A1 PRO-DRUG COMPOUNDS H1-0, ZYX, FURIN CTSK 1396/4885CTSS 769/4885SDCBP 4301/4885
US-11725020-B2 Prodrugs of a CDK inhibitor for treating cancers CDK3, CDK1, GSK3B CTSK 1548/4885CTSS 2458/4885SDCBP 4488/4885
US-20140275068-A1 PRO-DRUG COMPOUNDS GJA1, GJB2, AQP3 CTSK 2051/4885CTSS 2116/4885SDCBP 2236/4885

“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.