SCHEMBL8988205

SCHEMBL8988205

CCSC[C@H](NC(C)=O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
THRB P10828 1/20 0.53
ALOX15 P16050 1/20 0.53
NFKB1 P19838 1/20 0.53
PTGS2 P35354 1/20 0.53
THPO P40225 1/20 0.53
RECQL P46063 1/20 0.53
BLM P54132 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 2/20 0.52
ICMT O60725 1/20 0.44
ACE P12821 3/20 0.38
PRNP P04156 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GNPAT O15228 1/20 0.37
PAM P19021 1/20 0.37
PSMB11 A5LHX3 1/20 0.36
PSMA7 O14818 1/20 0.36

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
SCHEMBL4952874 1.00 MAPT (0.53) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL16745722 0.90 MAPT (0.59) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL6308419 0.90 MAPT (0.59) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL31405642 0.90 MAPT (0.59) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL16745723 0.86 ALDH1A1 (0.59) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL14991078 0.85 MAPT (0.50) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL4956217 0.85 MAPT (0.50) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL5841482 0.85 MAPT (0.50) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL3158146 0.84 MAPT (0.53) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL28467961 0.84 MAPT (0.53) MAPTKDM4ETHRBALOX15NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240024267-A1 METHODS OF ADMINISTERING GLUTATHIONE PRECURSORS NEURONASAL INC (US) 2024-01-25 US disclosed
US-20230321020-A1 MAGNETIC RESONANCE SPECTROSCOPY TO CALIBRATE AND SELECT DOSES, FORMULATIONS, AND DEVICES FOR INTRA-NASAL ADMINISTRATION OF N-ACETYLCYSTEINE NEURONASAL INC (US) 2023-10-12 US disclosed
EP-0452914-B1 21-Substituted pregnane derivatives KAO CORP (JP) 1996-07-10 EP disclosed
US-5116829-A 21-Substituted, Antiinflammatory Agents, Antiallergens, Rheumatism KAO CORPORATION (JP) 1992-05-26 US disclosed
EP-0452914-A2 21-Substituted pregnane derivatives KAO CORPORATION (JP) 1991-10-23 EP disclosed
EP-0051682-B1 CYSTEINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION MITSUBISHI KASEI CORPORATION (JP) 1984-09-05 EP disclosed
US-4440788-A REGENERATION OF LIVER CELLS MITSUBISHI CHEMICAL INDUSTRIES, LIMITED (JP) 1984-04-03 US disclosed
EP-0051682-A1 CYSTEINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION MITSUBISHI KASEI CORPORATION (JP) 1982-05-19 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 (2 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-20230321020-A1 MAGNETIC RESONANCE SPECTROSCOPY TO CALIBRATE AND SELECT DOSES, FORMULATIONS, AND DEVICES FOR INTRA-NASAL ADMINISTRATION OF N-ACETYLCYSTEINE AANAT, RIMKLA, NQO1 MAPT 2246/4885KDM4E 4270/4885THRB 4273/4885
US-20240024267-A1 METHODS OF ADMINISTERING GLUTATHIONE PRECURSORS GSR, GSS, GSTA2 MAPT 1099/4885KDM4E 4842/4885THRB 4389/4885

“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.