SCHEMBL16423

SCHEMBL16423

Cc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.65
CTSS P25774 6/20 0.57
CTSK P43235 5/20 0.57
CTSB P07858 4/20 0.57
CTSL P07711 2/20 0.56
PTPN1 P18031 1/20 0.56
PPARA Q07869 3/20 0.54
PPARG P37231 2/20 0.54
ITGB3 P05106 2/20 0.53
ITGA2B P08514 2/20 0.53
ITGB1 P05556 1/20 0.52
ITGAV P06756 1/20 0.52
ITGB5 P18084 1/20 0.52
JAK2 O60674 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
PKM P14618 1/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 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
SCHEMBL268722 1.00 ACE (0.65) ACECTSSCTSKCTSBCTSL
SCHEMBL29907894 1.00 ACE (0.65) ACECTSSCTSKCTSBCTSL
SCHEMBL268723 1.00 ACE (0.65) ACECTSSCTSKCTSBCTSL
SCHEMBL3704551 0.88 ACE (0.60) ACECTSSCTSKCTSBCTSL
SCHEMBL3704550 0.88 ACE (0.60) ACECTSSCTSKCTSBCTSL
SCHEMBL5529843 0.88 REN (0.61) ACECTSSCTSKCTSBCTSL
SCHEMBL21409100 0.88 CTSK (0.57) ACECTSSCTSKCTSBCTSL
SCHEMBL8241449 0.88 CTSK (0.57) ACECTSSCTSKCTSBCTSL
SCHEMBL12305798 0.88 CTSK (0.57) ACECTSSCTSKCTSBCTSL
SCHEMBL3731261 0.87 CTSS (0.73) ACECTSSCTSKCTSBCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104910046-B Phenylacetylene derivative with double chiral carbon atoms on pendant group and preparation method and application thereof 哈尔滨工程大学 2017-05-24 CN claimed
CN-104910039-A Functional phenylacetylene compound and preparation method thereof UNIV HARBIN ENG 2015-09-16 CN claimed
US-20260001924-A1 NEMO COILED COIL MIMICS AND METHODS OF USING SAME NEW YORK UNIVERSITY (US) 2026-01-01 US disclosed
US-12371461-B2 Nemo coiled coil mimics and methods of using same NEW YORK UNIVERSITY (US) 2025-07-29 US disclosed
EP-3303367-B1 STABILIZED MINIMAL COILED-COIL MIMETICS UNIV NEW YORK (US) 2025-06-18 EP disclosed
WO-2025038815-A1 MUTANT PI3K-ALPHA INHIBITORS AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPEUTICS INCORPORATED (US) 2025-02-20 WO disclosed
US-20250059175-A1 Mutant Pi3k-Alpha Inhibitors And Their Use As Pharmaceuticals PRELUDE THERAPEUTICS INCORPORATED 2025-02-20 US disclosed
US-20240190930-A1 NEMO COILED COIL MIMICS AND METHODS OF USING SAME UNIV NEW YORK (US) 2024-06-13 US disclosed
US-20240124539-A1 CROSSLINKED HELIX DIMER MIMICS OF SOS AND METHODS OF USING SAME NEW YORK UNIVERSITY 2024-04-18 US disclosed
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-20240049709-A1 METHOD OF CONTROLLING FUNGAL INFECTIONS IN PLANTS THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCH ORGANIZATION, (A.R.O), THE VOLCANI INSTITUTE (IL) 2024-02-15 US disclosed
US-20060235220-A1 Dipeptide nitriles MISSBACH MARTIN 2006-10-19 US disclosed
CN-1273444-C Dipeptide nitriles NOVARTIS AG (CH) 2006-09-06 CN disclosed
US-20040110806-A1 Dipeptide derivatives ALTMANN EVA (CH) 2004-06-10 US disclosed
WO-2004020402-A1 SULPHONYLAMINO DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE DE NOVO PHARMACEUTICALS LIMITED (GB) 2004-03-11 WO disclosed
US-20040029814-A1 Dipeptide nitriles ALTMANN EVA (CH) 2004-02-12 US disclosed
US-6353017-B1 INHIBITORS OF CATHESPINS USING DIPEPTIDE NITRILES AS ANTIINFLAMMATORY AGENTS AND ANTIARTHRITIC AGENTS NOVARTIS AG (CH) 2002-03-05 US disclosed
CN-1278244-A Dipeptide nitriles NOVARTIS AG (CH) 2000-12-27 CN disclosed
EP-1028942-A2 DIPEPTIDE NITRILES Novartis AG (CH) 2000-08-23 EP disclosed
WO-1999024460-A2 DIPEPTIDE NITRILES NOVARTIS AG (CH) 1999-05-20 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 (8 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-20040110806-A1 Dipeptide derivatives CTSL, CTSZ, CTSS ACE 346/4885CTSS 3/4885CTSK 4/4885
US-12371461-B2 Nemo coiled coil mimics and methods of using same COIL, CALCOCO2, NCAPH ACE 4652/4885CTSS 4120/4885CTSK 4487/4885
US-20250059175-A1 Mutant Pi3k-Alpha Inhibitors And Their Use As Pharmaceuticals PIK3CA, PIK3CD, PIK3R5 ACE 3483/4885CTSS 2804/4885CTSK 2347/4885
US-20240124539-A1 CROSSLINKED HELIX DIMER MIMICS OF SOS AND METHODS OF USING SAME SOS2, SOS1, F2 ACE 4710/4885CTSS 4337/4885CTSK 4721/4885
US-20260001924-A1 NEMO COILED COIL MIMICS AND METHODS OF USING SAME DDX21, PHAX, RBX1 ACE 4863/4885CTSS 4503/4885CTSK 4676/4885
US-20040029814-A1 Dipeptide nitriles NOS1, CTSL, CTSS ACE 292/4885CTSS 3/4885CTSK 4/4885
US-20060235220-A1 Dipeptide nitriles CTSL, CTSS, CTSB ACE 249/4885CTSS 2/4885CTSK 6/4885
US-20240190930-A1 NEMO COILED COIL MIMICS AND METHODS OF USING SAME COIL, CALCOCO2, NCAPH ACE 4653/4885CTSS 4194/4885CTSK 4515/4885

“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.