Sugi Predict

Sugi Predict / Compounds / SCHEMBL606689

SCHEMBL606689

SCHEMBL606689

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.62
▸ ITGB3 P05106 2/20 0.62
▸ ITGA2B P08514 2/20 0.62
▸ CTSS P25774 6/20 0.56
▸ CTSK P43235 5/20 0.56
▸ CTSL P07711 1/20 0.55
▸ CTSB P07858 1/20 0.55
▸ PPARA Q07869 5/20 0.54
▸ PPARG P37231 4/20 0.54
▸ ITGA4 P13612 1/20 0.53
▸ ITGB7 P26010 1/20 0.53
▸ PTPN1 P18031 2/20 0.53
▸ PPARD Q03181 2/20 0.52
▸ ITGB1 P05556 1/20 0.52
▸ ITGAV P06756 1/20 0.52
▸ ITGB5 P18084 1/20 0.52
▸ FPR2 P25090 3/20 0.51

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
SCHEMBL3901262 1.00 ACE (0.62) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL1201951 1.00 ACE (0.62) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL27802615 1.00 ACE (0.62) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL27823294 0.99 ACE (0.61) ACEITGB3ITGA2BCTSSCTSK
Dl-Phenylalanine SCHEMBL28132478 0.89 ACE (0.61) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL5887530 0.89 CTSS (0.53) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL5887534 0.89 CTSS (0.53) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL10077582 0.89 CTSS (0.53) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL14673648 0.89 NAALAD2 (0.51) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL16328350 0.88 CTSS (0.53) ACEITGB3ITGA2BCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118440116-A Preparation method of phosphine-boron unnatural amino acid, polypeptide and protein and direct metal coordination conversion 清华大学 2024-08-06 — — CN claimed
CN-115677776-B Preparation method of phosphine-boron unnatural amino acid, polypeptide and protein and direct metal coordination conversion 清华大学 2024-02-06 — — CN claimed
CN-116655729-A BPA oligomer and targeting compound thereof, preparation method and application 重庆高硼生物科技有限公司 2023-08-29 — — CN claimed
CN-115925732-A Preparation method of 4-boric acid-L-phenylalanine 重庆高硼生物科技有限公司 2023-04-07 — — CN claimed
CN-115677776-A Preparation method of phosphine-boron unnatural amino acid, polypeptide and protein and direct metal coordination conversion 清华大学 2023-02-03 — — CN claimed
CN-115466279-A 4-dihydroxy 10 Preparation method of boryl-L-phenylalanine 重庆波克底科技开发有限责任公司 2022-12-13 — — CN claimed
CN-112574245-A 4-10Preparation method of boric acid group-L-phenylalanine 四川瑶天纳米科技有限责任公司 2021-03-30 — — CN claimed
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2012-02-16 — — US claimed
EP-1981831-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF Vaidya, Niteen A. (US) 2008-10-22 — — EP claimed
WO-2007092264-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2007-08-16 — — WO claimed
US-20070185346-A1 Kit for automated resolving agent selection and method thereof VAIDYA NITEEN A 2007-08-09 — — US claimed
CN-122010861-A Buronate clamp Process for the preparation of a medicament 杭州科巢生物科技有限公司 2026-05-12 — — CN disclosed
US-12612421-B2 Method for producing 4-borono-L-phenylalanine and intermediate thereof STELLA PHARMA CORPORATION (JP) 2026-04-28 — — US disclosed
EP-4540267-B1 CYCLIC PEPTIDES FOR TRAPPING INTERLEUKIN-1 BETA MERCK SHARP & DOHME LLC (US) 2026-04-15 — — EP disclosed
US-20260062420-A1 NOVEL DPP1 INHIBITORS AND USES THEREOF INSMED INC (US) 2026-03-05 — — US disclosed
EP-0528587-A1 Inhibiting osteoclast-mediated bone resorption using substituted phenyl derivatives MERCK & CO. INC. (US) 1993-02-24 — — EP disclosed
EP-0479910-A1 N-SUBSTITUTED CYCLOALKYL AND POLYCYCLOALKYL ALPHA-SUBSTITUTED Trp-Phe- AND PHENETHYLAMINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1992-04-15 — — EP disclosed
EP-0478328-A1 Novel fibrinogen receptor antagonists MERCK & CO. INC. (US) 1992-04-01 — — EP disclosed
WO-1991000274-A1 N-SUBSTITUTED CYCLOALKYL AND POLYCYCLOALKYL ALPHA-SUBSTITUTED TRP-PHE- AND PHENETHYLAMINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1991-01-10 — — WO disclosed
EP-0405537-A1 N-substituted cycloalkyl and polycycloalkyl alpha-substituted Trp-Phe- and phenethylamine derivatives WARNER-LAMBERT COMPANY (US) 1991-01-02 — — 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-12612421-B2 Method for producing 4-borono-L-phenylalanine and intermediate thereof BCAT2, BCAT1, CLIC4 ACE 3612/4885ITGB3 4263/4885ITGA2B 3958/4885
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF ACKR3, KIT, C3AR1 ACE 140/4885ITGB3 3313/4885ITGA2B 4054/4885
US-20260062420-A1 NOVEL DPP1 INHIBITORS AND USES THEREOF DPP4, DPP3, DPP7 ACE 69/4885ITGB3 1472/4885ITGA2B 3511/4885

“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.