SCHEMBL613640

SCHEMBL613640

CC(C)(C)OC(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.76
CTSK P43235 5/20 0.76
ACE P12821 4/20 0.56
MME P08473 2/20 0.56
CPA1 P15085 1/20 0.56
ACE2 Q9BYF1 1/20 0.56
HRH4 Q9H3N8 1/20 0.54
PTPN1 P18031 1/20 0.53
SCN9A Q15858 1/20 0.53
CYP3A4 P08684 4/20 0.52
PPARA Q07869 2/20 0.51
PPARG P37231 1/20 0.51
CTSL P07711 2/20 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
SCHEMBL4600435 1.00 CTSS (0.76) CTSSCTSKACEMMECPA1
SCHEMBL29401990 1.00 CTSS (0.76) CTSSCTSKACEMMECPA1
SCHEMBL4122289 1.00 CTSS (0.76) CTSSCTSKACEMMECPA1
SCHEMBL17137918 0.95 CTSS (0.77) CTSSCTSKACEMMECPA1
SCHEMBL17137921 0.95 CTSS (0.77) CTSSCTSKACEMMECPA1
Dipentylamine SCHEMBL9536578 0.89 CTSK (0.63) CTSSCTSKACEMMECPA1
SCHEMBL345085 0.89 CTSK (0.65) CTSSCTSKACEPTPN1CYP3A4
SCHEMBL7288479 0.89 CTSK (0.65) CTSSCTSKACEPTPN1CYP3A4
SCHEMBL8662603 0.89 CTSS (0.62) CTSSCTSKACEMMECPA1
SCHEMBL8554176 0.89 CTSS (0.74) CTSSCTSKACEMMECPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112812149-B Amino acid derivative, preparation method and application thereof, anti-tumor micelle and preparation method thereof 首都医科大学 2022-04-29 CN claimed
CN-112812149-A Amino acid derivative, preparation method and application thereof, anti-tumor micelle and preparation method thereof 首都医科大学 2021-05-18 CN claimed
CN-112279887-A Amino acid derivative, preparation method and application thereof, anti-tumor micelle and preparation method thereof 首都医科大学 2021-01-29 CN claimed
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2012-02-16 US claimed
EP-1981831-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF Vaidya, Niteen A. (US) 2008-10-22 EP claimed
WO-2007092264-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2007-08-16 WO claimed
US-20070185346-A1 Kit for automated resolving agent selection and method thereof VAIDYA NITEEN A 2007-08-09 US claimed
US-5472978-A Tachykinin antagonists for treating pain, migraine and antiinflammatory agents MERCK SHARP & DOHME LTD. (GB) 1995-12-05 US claimed
EP-0593559-A1 AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY MERCK SHARP & DOHME LTD. (GB) 1994-04-27 EP claimed
WO-1993001169-A2 AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY MERCK SHARP & DOHME LIMITED (GB) 1993-01-21 WO claimed
CN-120590466-B Compound of targeted fibroblast activation protein and application thereof 首都医科大学脑重大疾病研究中心(北京脑重大疾病研究院) 2026-05-12 CN disclosed
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
US-4904660-A HYPOTENSIVE AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1990-02-27 US disclosed
EP-0326364-A2 Renin inhibitory oligopeptides, their preparation and use Sankyo Company Limited (JP) 1989-08-02 EP disclosed
EP-0310918-A2 Peptide-like amino-acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-04-12 EP disclosed
EP-0281316-A2 Renin inhibitors YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-09-07 EP disclosed
EP-0274259-A2 New renin-inhibitory oligopeptides, their preparaton and their use Sankyo Company Limited (JP) 1988-07-13 EP 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 (4 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 4487/4885ACE 4652/4885
US-20260015313-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF NSUN3, BCAT1, SLC43A1 CTSS 4022/4885CTSK 4661/4885ACE 1944/4885
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF ACKR3, KIT, C3AR1 CTSS 1371/4885CTSK 1088/4885ACE 140/4885
US-20260001924-A1 NEMO COILED COIL MIMICS AND METHODS OF USING SAME DDX21, PHAX, RBX1 CTSS 4503/4885CTSK 4676/4885ACE 4863/4885

“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.