SCHEMBL29907936

SCHEMBL29907936

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

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.62
CTSK P43235 11/20 0.62
CTSB P07858 4/20 0.62
CTSL P07711 2/20 0.61
ACE P12821 1/20 0.60
PTPN1 P18031 2/20 0.56
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
GPR34 Q9UPC5 1/20 0.51
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50

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
SCHEMBL3748888 1.00 CTSS (0.62) CTSSCTSKCTSBCTSLACE
SCHEMBL3748882 1.00 CTSS (0.62) CTSSCTSKCTSBCTSLACE
SCHEMBL5067241 1.00 CTSS (0.62) CTSSCTSKCTSBCTSLACE
SCHEMBL12890746 0.91 REN (0.58) CTSSCTSKCTSBCTSLACE
SCHEMBL25419654 0.90 CTSS (0.58) CTSSCTSKCTSBCTSLACE
SCHEMBL6163123 0.90 CTSS (0.58) CTSSCTSKCTSBCTSLACE
SCHEMBL6164303 0.90 CTSS (0.58) CTSSCTSKCTSBCTSLACE
SCHEMBL1336085 0.89 CTSS (0.61) CTSSCTSKCTSBCTSLACE
SCHEMBL25418554 0.88 CTSS (0.58) CTSSCTSKCTSBCTSLACE
SCHEMBL4499875 0.86 CTSS (0.53) CTSSCTSKCTSBCTSLACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4720058-A2 BIFUNCTIONAL DEGRADERS AND USES THEREOF Casma Therapeutics, Inc. (US) 2026-04-08 EP 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
CN-115093376-B Dual/multi-functional unnatural amino acid, conjugate and application thereof 北京大学 2024-12-27 CN disclosed
WO-2024249291-A2 BIFUNCTIONAL DEGRADERS AND USES THEREOF CASMA THERAPEUTICS, INC. (US) 2024-12-05 WO 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
CN-115093376-A Double/multiple functional unnatural amino acid, conjugate and application thereof 北京大学 2022-09-23 CN 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 (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-12371461-B2 Nemo coiled coil mimics and methods of using same COIL, CALCOCO2, NCAPH CTSS 4120/4885CTSK 4487/4885CTSB 3172/4885
US-11440938-B2 Stabilized minimal coiled-coil mimetics COIL, CALCOCO2, SMC2 CTSS 3193/4885CTSK 4421/4885CTSB 3880/4885
US-20240124539-A1 CROSSLINKED HELIX DIMER MIMICS OF SOS AND METHODS OF USING SAME SOS2, SOS1, F2 CTSS 4337/4885CTSK 4721/4885CTSB 4222/4885
US-20260001924-A1 NEMO COILED COIL MIMICS AND METHODS OF USING SAME DDX21, PHAX, RBX1 CTSS 4503/4885CTSK 4676/4885CTSB 4164/4885
US-11891422-B2 NEMO coiled coil mimics and methods of using same COIL, CALCOCO2, NCAPH CTSS 4120/4885CTSK 4487/4885CTSB 3172/4885
US-20220289802-A1 NEMO COILED COIL MIMICS AND METHODS OF USING SAME COIL, CALCOCO2, NCAPH CTSS 4120/4885CTSK 4487/4885CTSB 3172/4885
US-20240190930-A1 NEMO COILED COIL MIMICS AND METHODS OF USING SAME COIL, CALCOCO2, NCAPH CTSS 4194/4885CTSK 4515/4885CTSB 3181/4885

“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.