SCHEMBL16658

SCHEMBL16658

CC(C)(C)OC(=O)N[C@@H](Cc1ccncc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.62
ITGB3 P05106 2/20 0.59
ITGA2B P08514 2/20 0.59
CTSS P25774 6/20 0.55
CTSK P43235 5/20 0.55
CTSL P07711 1/20 0.55
CTSB P07858 1/20 0.55
ITGA4 P13612 2/20 0.53
ITGB7 P26010 2/20 0.53
PTPN1 P18031 2/20 0.53
PPARA Q07869 4/20 0.51
PPARG P37231 3/20 0.51
APP P05067 1/20 0.50
ITGB1 P05556 1/20 0.49
ITGAV P06756 1/20 0.49
ITGB5 P18084 1/20 0.49
MAPK1 P28482 1/20 0.49
PPARD Q03181 2/20 0.49

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
SCHEMBL3338649 1.00 ACE (0.62) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL478774 1.00 ACE (0.62) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL2310637 0.92 CTSS (0.60) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL2715763 0.92 CTSS (0.60) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL2310645 0.92 CTSS (0.60) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL3824787 0.91 ACE (0.54) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL31407761 0.90 ITGB3 (0.61) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL7436985 0.89 CTSS (0.53) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL6749429 0.89 CTSS (0.52) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL13538229 0.88 KLK5 (0.57) 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 170 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4702033-A1 DESMURAMYLPEPTIDE DIACIDS AS NOD2 AGONISTS AND USE THEREOF Imhotex Limited (GB) 2026-03-04 EP disclosed
US-20260015313-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF PEPTIDREAM INC (JP) 2026-01-15 US disclosed
US-20250162989-A1 USP30 INHIBITORS AND USES THEREOF VINCERE BIOSCIENCES, INC. 2025-05-22 US disclosed
EP-4534524-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF PeptiDream Inc. (JP) 2025-04-09 EP disclosed
US-20250059171-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-02-20 US disclosed
US-12187728-B2 Caffeine inhibitors of MTHFD2 and uses thereof RAZE THERAPEUTICS, INC. (US) 2025-01-07 US disclosed
WO-2024224086-A1 DESMURAMYLPEPTIDE DIACIDS AS NOD2 AGONISTS AND USE THEREOF Imhotex Limited (GB) 2024-10-31 WO disclosed
WO-2024224093-A1 DESMURAMYLPEPTIDE DIEESTERS AS NOD2 AGONISTS AND USE THEREOF Imhotex Limited (GB) 2024-10-31 WO disclosed
EP-4444711-A1 ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-10-16 EP disclosed
EP-4425181-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE Bertis Inc (KR) 2024-09-04 EP disclosed
EP-1102789-A1 MONOCYCLIC COMPOUNDS HAVING NK-2 ANTAGONIST ACTION AND COMPOSITIONS CONTAINING THEM Menarini Ricerche S.p.A. (IT) 2001-05-30 EP disclosed
US-6180611-B1 INHIBITORS OF MATRIX METALLOPROTEINASES AND TUMOR NECROSIS FACTOR DARWIN DISCOVERY, LTD. (GB) 2001-01-30 US disclosed
US-6114310-A THERAPY FOR MICROBIAL INFECTIONS MICROCIDE PHARMACEUTICALS, INC. (US) 2000-09-05 US disclosed
EP-0509354-B1 Amino acid derivatives HOFFMANN LA ROCHE (CH) 2000-08-23 EP disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed
WO-2000008046-A1 MONOCYCLIC COMPOUNDS HAVING NK-2 ANTAGONIST ACTION AND COMPOSITIONS CONTAINING THEM MENARINI RICERCHE S.P.A. (IT) 2000-02-17 WO disclosed
US-5994312-A Peptidyl compounds DARWIN DISCOVERY, LTD. (GB) 1999-11-30 US disclosed
WO-1999037667-A1 EFFLUX PUMP INHIBITORS MICROCIDE PHARMACEUTICALS, INC. (US) 1999-07-29 WO disclosed
US-5393875-A Hypotensive, cardiotonic and antiischemic agents HOFFMANN-LA ROCHE INC. (US) 1995-02-28 US disclosed
EP-0509354-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1992-10-21 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 (4 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-12187728-B2 Caffeine inhibitors of MTHFD2 and uses thereof MTHFD2, MTHFD1, NUDT15 ACE 2233/4885ITGB3 4873/4885ITGA2B 4831/4885
US-20260015313-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF NSUN3, BCAT1, SLC43A1 ACE 1944/4885ITGB3 2864/4885ITGA2B 3805/4885
US-20250162989-A1 USP30 INHIBITORS AND USES THEREOF USP30, USP28, USP1 ACE 2383/4885ITGB3 4634/4885ITGA2B 4699/4885
US-20250059171-A1 ANTIVIRAL COMPOUNDS ZC3HAV1, ACE, EIF2AK2 ACE 2/4885ITGB3 4399/4885ITGA2B 4578/4885

“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.