SCHEMBL29907894

SCHEMBL29907894

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
SCHEMBL268723 1.00 ACE (0.65) ACECTSSCTSKCTSBCTSL
SCHEMBL16423 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 11 patents. 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
CN-118955391-A Substituted N- (2-oxo ethyl) benzamide derivative and preparation method and application thereof 中国医学科学院医药生物技术研究所 2024-11-15 CN 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 (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 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-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.