SCHEMBL6927677

SCHEMBL6927677

CC(O)C(=O)N[C@H](CS)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.71
KDM4E B2RXH2 1/20 0.61
MAPT P10636 1/20 0.61
THRB P10828 1/20 0.61
ALOX15 P16050 1/20 0.61
NFKB1 P19838 1/20 0.61
PTGS2 P35354 1/20 0.61
THPO P40225 1/20 0.61
RECQL P46063 1/20 0.61
BLM P54132 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
FOLH1 Q04609 3/20 0.47
MME P08473 6/20 0.43
TP53 P04637 1/20 0.40
NAALAD2 Q9Y3Q0 2/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL31234316 1.00 ACE (0.71) ACEKDM4EMAPTTHRBALOX15
SCHEMBL30819465 1.00 ACE (0.71) ACEKDM4EMAPTTHRBALOX15
SCHEMBL1059519 0.85 ACE (0.74) ACEKDM4EMAPTTHRBALOX15
SCHEMBL1049889 0.85 ACE (0.74) ACEKDM4EMAPTTHRBALOX15
SCHEMBL3014643 0.85 ACE (0.74) ACEKDM4EMAPTTHRBALOX15
SCHEMBL23835494 0.83 ACE (0.71) ACEKDM4EMAPTTHRBALOX15
SCHEMBL525145 0.83 ACE (1.00) ACEKDM4EMAPTTHRBALOX15
SCHEMBL928750 0.83 ACE (1.00) ACEKDM4EMAPTTHRBALOX15
SCHEMBL931219 0.83 ACE (1.00) ACEKDM4EMAPTTHRBALOX15
SCHEMBL931221 0.83 ACE (1.00) ACEKDM4EMAPTTHRBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11913052-B2 Cell-free protein synthesis driven metabolic engineering NORTHWESTERN UNIVERSITY (US) 2024-02-27 US disclosed
US-20200291445-A1 CELL-FREE PROTEIN SYNTHESIS DRIVEN METABOLIC ENGINEERING NORTHWESTERN UNIVERSITY 2020-09-17 US disclosed
EP-1363584-A1 TREATMENT OF DANDRUFF UNILEVER PLC (GB) 2003-11-26 EP disclosed
US-20020168327-A1 Treatment of dandruff UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2002-11-14 US disclosed
WO-2002067880-A1 TREATMENT OF DANDRUFF UNILEVER PLC (GB) 2002-09-06 WO disclosed
US-5472698-A Mixture of (N-acetyl)-L-serine, N-acetylcysteine and alpha-lipoic acid which promotes ceramide production in skin cells ELIZABETH ARDEN CO., DIVISION OF CONOPCO, INC. (US) 1995-12-05 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 (1 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-20020168327-A1 Treatment of dandruff CYP51A1, ERG28, SREBF1 ACE 3751/4885KDM4E 1008/4885MAPT 1225/4885

“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.