SCHEMBL1269412

SCHEMBL1269412

CC(C)(C)OC(=O)N[C@H](Cc1cccc(F)c1)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.74
CTSK P43235 6/20 0.74
ACE P12821 2/20 0.64
PTPN1 P18031 1/20 0.58
CTSB P07858 4/20 0.56
CTSL P07711 2/20 0.55
PPARA Q07869 2/20 0.53
PPARG P37231 2/20 0.53
SCN9A Q15858 2/20 0.52
ITGB3 P05106 2/20 0.52
ITGA2B P08514 2/20 0.52
JAK2 O60674 1/20 0.52
ALDH1A1 P00352 1/20 0.52
TP53 P04637 1/20 0.52
HPGD P15428 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
ATM Q13315 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL478597 1.00 CTSS (0.74) CTSSCTSKACEPTPN1CTSB
SCHEMBL478595 1.00 CTSS (0.74) CTSSCTSKACEPTPN1CTSB
SCHEMBL29400678 1.00 CTSS (0.74) CTSSCTSKACEPTPN1CTSB
SCHEMBL21447200 0.89 CTSS (0.69) CTSSCTSKACEPTPN1CTSB
SCHEMBL11996607 0.88 CTSS (0.60) CTSSCTSKACEPTPN1CTSB
SCHEMBL3725051 0.88 CTSS (0.60) CTSSCTSKACEPTPN1CTSB
SCHEMBL3725052 0.88 CTSS (0.60) CTSSCTSKACEPTPN1CTSB
SCHEMBL10151228 0.88 CTSK (0.62) CTSSCTSKACEPTPN1CTSB
SCHEMBL13744414 0.88 CTSK (0.62) CTSSCTSKACEPTPN1CTSB
SCHEMBL3554137 0.88 ACE (0.64) CTSSCTSKACEPTPN1CTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-120192379-A Marine cyclic peptide and synthesis method and application thereof 内蒙古大学 2025-06-24 CN disclosed
EP-3303367-B1 STABILIZED MINIMAL COILED-COIL MIMETICS UNIV NEW YORK (US) 2025-06-18 EP 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-11891422-B2 NEMO coiled coil mimics and methods of using same NEW YORK UNIVERSITY (US) 2024-02-06 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
EP-1968568-A2 INHIBITORS OF Akt ACTIVITY SmithKline Beecham Corporation (US) 2008-09-17 EP disclosed
WO-2007145922-A2 BENZAZEPINONES AS SODIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2007-12-21 WO disclosed
WO-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed
US-7132539-B2 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY (US) 2006-11-07 US disclosed
US-20060247224-A1 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY 2006-11-02 US disclosed
US-20050010031-A1 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY 2005-01-13 US disclosed
EP-0866705-A4 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-03-03 EP disclosed
US-5852045-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-12-22 US disclosed
EP-0866705-A1 FIBRINOGEN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-09-30 EP disclosed
WO-1997014417-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-04-24 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 (7 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-20050010031-A1 Melanocortin receptor ligands MC3R, MC5R, MC1R CTSS 4607/4885CTSK 4675/4885ACE 4632/4885
US-12371461-B2 Nemo coiled coil mimics and methods of using same COIL, CALCOCO2, NCAPH CTSS 4120/4885CTSK 4487/4885ACE 4652/4885
US-20240124539-A1 CROSSLINKED HELIX DIMER MIMICS OF SOS AND METHODS OF USING SAME SOS2, SOS1, F2 CTSS 4337/4885CTSK 4721/4885ACE 4710/4885
US-20260001924-A1 NEMO COILED COIL MIMICS AND METHODS OF USING SAME DDX21, PHAX, RBX1 CTSS 4503/4885CTSK 4676/4885ACE 4863/4885
US-11891422-B2 NEMO coiled coil mimics and methods of using same COIL, CALCOCO2, NCAPH CTSS 4120/4885CTSK 4487/4885ACE 4652/4885
US-20060247224-A1 Melanocortin receptor ligands MC3R, MC5R, MC1R CTSS 4619/4885CTSK 4667/4885ACE 4591/4885
US-20240190930-A1 NEMO COILED COIL MIMICS AND METHODS OF USING SAME COIL, CALCOCO2, NCAPH CTSS 4194/4885CTSK 4515/4885ACE 4653/4885

“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.