SCHEMBL29907930

SCHEMBL29907930

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

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.61
CTSS P25774 6/20 0.56
CTSK P43235 5/20 0.56
CTSB P07858 4/20 0.54
SCN9A Q15858 1/20 0.54
PPARA Q07869 3/20 0.53
CTSL P07711 2/20 0.53
PPARG P37231 2/20 0.53
PTPN1 P18031 1/20 0.53
FPR2 P25090 1/20 0.51
ITGB3 P05106 2/20 0.50
ITGA2B P08514 2/20 0.50
ITGB1 P05556 1/20 0.49
ITGAV P06756 1/20 0.49
ITGB5 P18084 1/20 0.49
GPR34 Q9UPC5 1/20 0.49
KIFC1 Q9BW19 1/20 0.48
TP53 P04637 1/20 0.48

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
SCHEMBL1519920 1.00 ACE (0.61) ACECTSSCTSKCTSBSCN9A
SCHEMBL3556619 1.00 ACE (0.61) ACECTSSCTSKCTSBSCN9A
SCHEMBL1519924 1.00 ACE (0.61) ACECTSSCTSKCTSBSCN9A
SCHEMBL30882486 0.88 CTSK (0.54) ACECTSSCTSKCTSBSCN9A
SCHEMBL28578165 0.88 CTSK (0.54) ACECTSSCTSKCTSBSCN9A
SCHEMBL25054244 0.88 CTSK (0.54) ACECTSSCTSKCTSBSCN9A
SCHEMBL16458284 0.86 SCN9A (0.53) ACECTSSCTSKCTSBSCN9A
SCHEMBL16458286 0.86 SCN9A (0.53) ACECTSSCTSKCTSBSCN9A
SCHEMBL3554135 0.85 ACE (0.64) ACECTSSCTSKCTSBPPARA
SCHEMBL478597 0.85 CTSS (0.74) ACECTSSCTSKCTSBSCN9A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260015313-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF PEPTIDREAM INC (JP) 2026-01-15 US disclosed
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
EP-4534524-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF PeptiDream Inc. (JP) 2025-04-09 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-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-20220289802-A1 NEMO COILED COIL MIMICS AND METHODS OF USING SAME CORNELL UNIVERSITY 2022-09-15 US disclosed
US-11440938-B2 Stabilized minimal coiled-coil mimetics NEW YORK UNIVERSITY (US) 2022-09-13 US 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-12371461-B2 Nemo coiled coil mimics and methods of using same COIL, CALCOCO2, NCAPH ACE 4652/4885CTSS 4120/4885CTSK 4487/4885
US-11440938-B2 Stabilized minimal coiled-coil mimetics COIL, CALCOCO2, SMC2 ACE 3533/4885CTSS 3193/4885CTSK 4421/4885
US-20260015313-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF NSUN3, BCAT1, SLC43A1 ACE 1944/4885CTSS 4022/4885CTSK 4661/4885
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-11891422-B2 NEMO coiled coil mimics and methods of using same COIL, CALCOCO2, NCAPH ACE 4652/4885CTSS 4120/4885CTSK 4487/4885
US-20220289802-A1 NEMO COILED COIL MIMICS AND METHODS OF USING SAME COIL, CALCOCO2, NCAPH ACE 4652/4885CTSS 4120/4885CTSK 4487/4885
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.