SCHEMBL12334337

SCHEMBL12334337

O=C1CNC(=O)C(CSSCC2NC(=O)CNC2=O)N1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.36
ITGB3 P05106 10/20 0.31
ITGAV P06756 10/20 0.31
ITGB5 P18084 8/20 0.30
HDAC8 Q9BY41 2/20 0.30
ITGA2B P08514 1/20 0.30

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
SCHEMBL4402038 1.00 HRH3 (0.36) HRH3ITGB3ITGAVITGB5HDAC8
SCHEMBL12910759 1.00 HRH3 (0.36) HRH3ITGB3ITGAVITGB5HDAC8
SCHEMBL4399713 0.89 HRH3 (0.32) HRH3
SCHEMBL12910736 0.84 HDAC8 (0.39) HRH3ITGB3ITGAVHDAC8
SCHEMBL13078421 0.84 HRH3 (0.35) HRH3ITGB3ITGAV
SCHEMBL12019159 0.84 HRH3 (0.37) HRH3ITGB3ITGAV
SCHEMBL4399717 0.83 ITGB3 (0.41) HRH3ITGB3ITGAVITGB5HDAC8
SCHEMBL12019149 0.83 ITGB3 (0.41) HRH3ITGB3ITGAVITGB5HDAC8
SCHEMBL16840265 0.83 ITGB3 (0.41) HRH3ITGB3ITGAVITGB5HDAC8
SCHEMBL15762025 0.83 ITGB3 (0.41) HRH3ITGB3ITGAVITGB5HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2937334-B1 PROPIONIC ACIDS, PROPIONIC ACID ESTERS, AND RELATED COMPOUNDS PROMENTIS PHARM INC (US) 2017-04-19 EP disclosed
EP-2937334-A1 PROPIONIC ACIDS, PROPIONIC ACID ESTERS, AND RELATED COMPOUNDS Promentis Pharmaceuticals, Inc. (US) 2015-10-28 EP disclosed
US-8815905-B2 Propionic acids, propionic acid esters, and related compounds PROMENTIS PHARMACEUTICALS, INC. (US) 2014-08-26 US disclosed
US-8435997-B2 Cysteine prodrugs to treat schizophrenia and drug addiction MARQUETTE UNIVERSITY (US) 2013-05-07 US disclosed
US-8435997-B2 Cysteine prodrugs to treat schizophrenia and drug addiction MARQUETTE UNIVERSITY (US) 2013-05-07 US disclosed
US-20110224156-A1 Propionic Acids, Propionic Acid Esters, and Related Compounds ALBANY MOLECULAR RESEARCH, INC. 2011-09-15 US disclosed
US-20110021533-A1 CYSTEINE PRODRUGS TO TREAT SCHIZOPHRENIA AND DRUG ADDICTION MARQUETTE UNIVERSITY (US) 2011-01-27 US disclosed
US-20110021533-A1 CYSTEINE PRODRUGS TO TREAT SCHIZOPHRENIA AND DRUG ADDICTION MARQUETTE UNIVERSITY (US) 2011-01-27 US disclosed
US-7829709-B1 Cysteine prodrugs to treat schizophrenia and drug addiction MARQUETTE UNIVERSITY (US) 2010-11-09 US disclosed
US-7829709-B1 Cysteine prodrugs to treat schizophrenia and drug addiction MARQUETTE UNIVERSITY (US) 2010-11-09 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 (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-20110224156-A1 Propionic Acids, Propionic Acid Esters, and Related Compounds PCCA, PC, PMP22 HRH3 1019/4885ITGB3 3534/4885ITGAV 4030/4885
US-20110021533-A1 CYSTEINE PRODRUGS TO TREAT SCHIZOPHRENIA AND DRUG ADDICTION CTH, CBS, SLC6A3 HRH3 3124/4885ITGB3 3980/4885ITGAV 3793/4885

“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.