SCHEMBL1201951

SCHEMBL1201951

CC(C)(C)OC(=O)NC(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
SCHEMBL606689 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 194 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20260116923-A1 CYCLIC PEPTIDE IL-1BETA TRAP FOR THE TREATMENT OF ATHEROSCLEROSIS AND INFLAMMATORY DISORDERS MERCK SHARP & DOHME LLC (US) 2026-04-30 US 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
EP-4661890-A1 PTP1B/TC-PTP DUAL INHIBITORS AND PROTEIN DEGRADERS Purdue Research Foundation (US) 2025-12-17 EP disclosed
US-12415835-B2 Peptide-compound cyclization method CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-09-16 US disclosed
US-20250250232-A1 AZETIDINE DERIVATIVES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2025-08-07 US disclosed
WO-2025128805-A1 A CYCLIC PEPTIDE IL-1BETA TRAP FOR THE TREATMENT OF ATHEROSCLEROSIS AND INFLAMMATORY DISORDERS MERCK SHARP & DOHME LLC (US) 2025-06-19 WO disclosed
US-20240415830-A1 COMPOSITION AND METHODS OF USE OF NOVEL PHENYLALANINE SMALL ORGANIC COMPOUNDS TO DIRECTLY MODULATE PCSK9 PROTEIN ACTIVITY SRX CARDIO LLC (US) 2024-12-19 US disclosed
US-20240277890-A1 ANTIMICROBIAL ARTICLES COMPRISING POLYURETHANE AMICOAT AS (NO) 2024-08-22 US disclosed
EP-1017382-A4 BIARYLALKANOIC ACIDS AS CELL ADHESION INHIBITORS MERCK & CO INC (US) 2000-08-30 EP disclosed
EP-1017382-A1 BIARYLALKANOIC ACIDS AS CELL ADHESION INHIBITORS Merck & Co., Inc. (a New Jersey corp.) (US) 2000-07-12 EP disclosed
WO-1998053817-A1 BIARYLALKANOIC ACIDS AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 1998-12-03 WO disclosed
US-5631281-A COMPOUNDS FOR TREATMENT OF ANXIETY WITH INDOLE AMIDES WARNER-LAMBERT COMPANY (US) 1997-05-20 US disclosed
US-5622983-A ANTIOBESITY AGENTS, ANTIPSYCHOTIC AGENTS, ANTIULCER AGENTS WARNER-LAMBERT COMPANY (US) 1997-04-22 US disclosed
US-5580896-A Treatment of pain and colorectal cancer with dipeptoids of α-substituted Trp-Phe derivatives WARNER-LAMBERT COMPANY (US) 1996-12-03 US disclosed
US-5278316-A Indoles WARNER-LAMBERT COMPANY (US) 1994-01-11 US 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
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 (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-12612421-B2 Method for producing 4-borono-L-phenylalanine and intermediate thereof BCAT2, BCAT1, CLIC4 ACE 3612/4885ITGB3 4263/4885ITGA2B 3958/4885
US-20260116923-A1 CYCLIC PEPTIDE IL-1BETA TRAP FOR THE TREATMENT OF ATHEROSCLEROSIS AND INFLAMMATORY DISORDERS IL1A, IL1B, IL1RN ACE 3189/4885ITGB3 1002/4885ITGA2B 1766/4885
US-20250250232-A1 AZETIDINE DERIVATIVES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS DPP9, DPP4, DPP3 ACE 23/4885ITGB3 4048/4885ITGA2B 4554/4885
US-12415835-B2 Peptide-compound cyclization method VIP, NGLY1, GLP1R ACE 621/4885ITGB3 4288/4885ITGA2B 4447/4885
US-20240415830-A1 COMPOSITION AND METHODS OF USE OF NOVEL PHENYLALANINE SMALL ORGANIC COMPOUNDS TO DIRECTLY MODULATE PCSK9 PROTEIN ACTIVITY PCSK9, LDLR, APOB ACE 612/4885ITGB3 3876/4885ITGA2B 4601/4885

“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.