SCHEMBL398124

SCHEMBL398124

CCO[C@H](C)[C@H](N)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.48
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB1 P18505 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 0.43
GABRA4 P48169 2/20 0.43
GABRE P78334 2/20 0.43
GABRA6 Q16445 2/20 0.43
GABRG1 Q8N1C3 2/20 0.43
GABRG3 Q99928 2/20 0.43
GABRQ Q9UN88 2/20 0.43
SLC1A3 P43003 8/20 0.41
SLC1A2 P43004 8/20 0.41
SLC1A1 P43005 8/20 0.41

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
SCHEMBL12843923 1.00 SLC7A5 (0.48) SLC7A5GABRPGABRDGABRA1GABRB1
SCHEMBL398123 1.00 SLC7A5 (0.48) SLC7A5GABRPGABRDGABRA1GABRB1
SCHEMBL29957288 1.00 SLC7A5 (0.48) SLC7A5GABRPGABRDGABRA1GABRB1
SCHEMBL2030960 1.00 SLC7A5 (0.48) SLC7A5GABRPGABRDGABRA1GABRB1
Hydrochloric Acid SCHEMBL1536307 0.98 SLC7A5 (0.46) SLC7A5GABRPGABRDGABRA1GABRB1
SCHEMBL25661066 0.83 SLC7A5 (0.44) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
SCHEMBL31369938 0.83 SLC7A5 (0.44) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
SCHEMBL30062853 0.83 SLC7A5 (0.44) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
SCHEMBL8715906 0.80 SLC7A5 (0.46) SLC7A5GABRPGABRDGABRA1GABRB1
SCHEMBL31369953 0.80 SLC7A5 (0.46) SLC7A5SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12077611-B2 Cyclic peptides multimers targeting α4β7 integrin ZEALAND PHARMA A/S (DK) 2024-09-03 US claimed
US-20230406884-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ZEALAND PHARMA A/S (DK) 2023-12-21 US claimed
US-11713338-B2 Cyclic peptides multimers targeting α-4-β-7 integrin ZEALAND PHARMA A/S (DK) 2023-08-01 US claimed
EP-0175180-A1 Histargin-related compounds, a process for their preparation and their use as medicaments MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 1986-03-26 EP claimed
EP-0105193-A2 Spergualin-related compounds, processes for the preparation thereof and their use as medicaments MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 1984-04-11 EP claimed
EP-4603105-A1 PHARMACEUTICAL COMPOSITION CONTAINING CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT AGAINST HRAS AND NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-08-20 EP disclosed
EP-4592308-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-07-30 EP disclosed
CN-120202211-A Cyclic compounds having selective KRAS inhibition over HRAS and NRAS 中外制药株式会社 2025-06-24 CN disclosed
US-12077611-B2 Cyclic peptides multimers targeting α4β7 integrin ZEALAND PHARMA A/S (DK) 2024-09-03 US disclosed
WO-2024101402-A1 PHARMACEUTICAL COMPOSITION CONTAINING CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT AGAINST HRAS AND NRAS 中外製薬株式会社 2024-05-16 WO disclosed
US-20240158446-A1 CYCLIC COMPOUND HAVING SELECTIVE INHIBITORY ACTION ON KRAS OVER HRAS AND NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-05-16 US disclosed
EP-4309741-A1 CYCLIC COMPOUND HAVING INHIBITORY EFFECT SELECTIVE FOR KRAS BUT NOT FOR HRAS AND NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-01-24 EP disclosed
US-5616684-A CYCLIC HEXAPEPTIDE CONTAINING ASPARTIC ACID AND DERIVATIVES, 2-THIENYLGLYCINE, LEUCINE, AND TRYPTOPHAN; ENDOTHELIN RECEPTOR ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-01 US disclosed
EP-0714909-A1 Composition for prophylaxis or treatment of pulmonary circulatory diseases Takeda Chemical Industries, Ltd. (JP) 1996-06-05 EP disclosed
EP-0647449-A1 Sustained-release preparation of anti-endothelin substance Takeda Chemical Industries, Ltd. (JP) 1995-04-12 EP disclosed
EP-0626174-A2 Methods and compositions for the prophylactic and/or therapeutic treatment of organ hypofunction TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-11-30 EP disclosed
EP-0552417-A1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-07-28 EP disclosed
EP-0528312-A2 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-02-24 EP disclosed
EP-0175180-A1 Histargin-related compounds, a process for their preparation and their use as medicaments MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 1986-03-26 EP disclosed
US-4529549-A Compound containing guanidine and amino groups ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1985-07-16 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 (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-20240158446-A1 CYCLIC COMPOUND HAVING SELECTIVE INHIBITORY ACTION ON KRAS OVER HRAS AND NRAS KRAS, HRAS, NRAS SLC7A5 2342/4885GABRP 2881/4885GABRD 3417/4885
US-12077611-B2 Cyclic peptides multimers targeting α4β7 integrin ITGB7, ITGB4, ITGA4 SLC7A5 2076/4885GABRP 413/4885GABRD 1074/4885
US-20230406884-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ITGB7, ITGB4, ITGA4 SLC7A5 2407/4885GABRP 647/4885GABRD 1648/4885
US-11713338-B2 Cyclic peptides multimers targeting α-4-β-7 integrin ITGB7, ITGB4, ITGA4 SLC7A5 2493/4885GABRP 665/4885GABRD 1821/4885

“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.