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Sugi Predict / Compounds / SCHEMBL3204577

SCHEMBL3204577

SCHEMBL3204577

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.52
▸ PTPN1 P18031 2/20 0.51
▸ CTSS P25774 3/20 0.48
▸ CTSK P43235 2/20 0.48
▸ CTSL P07711 1/20 0.48
▸ CTSB P07858 1/20 0.48
▸ MDM2 Q00987 1/20 0.48
▸ MDM4 O15151 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ IDO1 P14902 1/20 0.47
▸ ITGB3 P05106 1/20 0.47
▸ ITGA2B P08514 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 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
SCHEMBL20946311 1.00 ACE (0.52) ACEPTPN1CTSSCTSKCTSL
SCHEMBL3205062 1.00 ACE (0.52) ACEPTPN1CTSSCTSKCTSL
SCHEMBL3205320 0.96 MDM2 (0.50) ACEPTPN1CTSSCTSKCTSL
SCHEMBL31437132 0.96 MDM2 (0.50) ACEPTPN1CTSSCTSKCTSL
SCHEMBL3205240 0.96 MDM2 (0.50) ACEPTPN1CTSSCTSKCTSL
SCHEMBL4599274 0.96 MDM2 (0.50) ACEPTPN1CTSSCTSKCTSL
SCHEMBL21683143 0.92 ACE (0.52) ACEPTPN1CTSSCTSKCTSL
SCHEMBL21683145 0.92 ACE (0.52) ACEPTPN1CTSSCTSKCTSL
SCHEMBL30441251 0.92 ACE (0.52) ACEPTPN1CTSSCTSKCTSL
SCHEMBL30440817 0.92 ACE (0.52) ACEPTPN1CTSSCTSKCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240057599-A1 METHODS FOR IMPROVING FRUIT QUALITY THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCH ORGANIZATION (ARO) (VOLCANI CENTER) (IL) 2024-02-22 — — US disclosed
US-11812746-B2 Method of controlling fungal infections in plants THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCH ORGANIZATION (ARO) (VOLCANI CENTER) (IL) 2023-11-14 — — US disclosed
US-11674136-B2 DNA-templated macrocycle library PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-06-13 — — US disclosed
US-11033535-B2 Oxadiazoles and thiadiazoles as TGF-β inhibitors SOUTHERN RESEARCH INSTITUTE (US) 2021-06-15 — — US disclosed
US-20200383327-A1 METHOD OF IMPROVING PLANT PERFORMANCE THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCH ORGANIZATION (ARO) (VOLCANI CENTER) (IL) 2020-12-10 — — US disclosed
EP-3700522-A1 OXADIAZOLES AND THIADIAZOLES AS TGF-BETA INHIBITORS Southern Research Institute (US) 2020-09-02 — — EP disclosed
US-20200222371-A1 OXADIAZOLES AND THIADIAZOLES AS TGF-BETA INHIBITORS UAB RESEARCH FOUNDATION 2020-07-16 — — US disclosed
US-10653682-B2 Oxadiazoles and thiadiazoles as TGF-β inhibitors SOUTHERN RESEARCH INSTITUTE (US) 2020-05-19 — — US disclosed
US-20190246639-A1 METHOD OF CONTROLLING FUNGAL INFECTIONS IN PLANTS THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCHORGANIZATION (ARO) (VOLCANI CENTER) (IL) 2019-08-15 — — US disclosed
US-20190125730-A1 OXADIAZOLES AND THIADIAZOLES AS TGF-BETA INHIBITORS UAB RESEARCH FOUNDATION 2019-05-02 — — US disclosed
EP-0683792-A4 LHRH ANTAGONISTS HAVING MODIFIED AMINOACYL RESIDUES AT POSTIONS 5 AND 6. ABBOTT LAB (US) 1998-11-18 — — EP disclosed
EP-0738154-A1 N-TERMINUS MODIFIED ANALOGS OF LHRH Abbott Laboratories (US) 1996-10-23 — — EP disclosed
EP-0738154-A4 N-TERMINUS MODIFIED ANALOGS OF LHRH ABBOTT LAB (US) 1996-04-12 — — EP disclosed
US-5502035-A N-terminus modified analogs of LHRH TAP HOLDINGS INC. (US) 1996-03-26 — — US disclosed
US-5491217-A DECAPEPTIDES TAP HOLDING INC. (US) 1996-02-13 — — US disclosed
EP-0683792-A1 LHRH ANTAGONISTS HAVING MODIFIED AMINOACYL RESIDUES AT POSTIONS 5 AND 6 ABBOTT LABORATORIES (US) 1995-11-29 — — EP disclosed
US-5413990-A N-terminus modified analogs of LHRH TAP PHARMACEUTICALS INC. (US) 1995-05-09 — — US disclosed
WO-1995004541-A1 N-TERMINUS MODIFIED ANALOGS OF LHRH ABBOTT LABORATORIES (US) 1995-02-16 — — WO disclosed
WO-1995004540-A1 N-TERMINUS MODIFIED ANALOGS OF LHRH ABBOTT LABORATORIES (US) 1995-02-16 — — WO disclosed
WO-1994014841-A1 LHRH ANTAGONISTS HAVING MODIFIED AMINOACYL RESIDUES AT POSTIONS 5 AND 6 ABBOTT LABORATORIES (US) 1994-07-07 — — WO 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 (5 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-11674136-B2 DNA-templated macrocycle library IDE, IAPP, POLRMT ACE 31/4885PTPN1 2517/4885CTSS 247/4885
US-11033535-B2 Oxadiazoles and thiadiazoles as TGF-β inhibitors SMAD3, TGFBR1, TGFBR2 ACE 1634/4885PTPN1 2227/4885CTSS 3830/4885
US-10653682-B2 Oxadiazoles and thiadiazoles as TGF-β inhibitors SMAD3, TGFBR1, TGFBR2 ACE 1634/4885PTPN1 2227/4885CTSS 3830/4885
US-20200222371-A1 OXADIAZOLES AND THIADIAZOLES AS TGF-BETA INHIBITORS SMAD3, TGFBR1, TGFBR2 ACE 1627/4885PTPN1 2334/4885CTSS 3826/4885
US-20190125730-A1 OXADIAZOLES AND THIADIAZOLES AS TGF-BETA INHIBITORS SMAD3, TGFBR1, TGFBR2 ACE 1627/4885PTPN1 2334/4885CTSS 3826/4885

“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.