SCHEMBL2403441

SCHEMBL2403441

CCC(C)C(=O)C(=O)NC(CSC(C)=O)C(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.33
BIRC2 Q13490 1/20 0.33
ACE P12821 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGA4 P13612 1/20 0.31
ALDH1A1 P00352 1/20 0.30
THRB P10828 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL2467195 0.86 ITGB1 (0.41) BIRC2TAS1R3TAS1R1ITGB1ITGA4
SCHEMBL2460742 0.86 ITGB1 (0.33) MMEACETAS1R3TAS1R1ITGB1
SCHEMBL2463012 0.78 BIRC2 (0.33) MMEBIRC2ACETAS1R3TAS1R1
SCHEMBL5656969 0.77 KDM4E (0.38) ITGB1ITGA4ALDH1A1THRB
SCHEMBL6470507 0.77 KDM4E (0.38) ITGB1ITGA4ALDH1A1THRB
SCHEMBL9966095 0.77 KDM4E (0.38) ITGB1ITGA4ALDH1A1THRB
SCHEMBL2467196 0.74
SCHEMBL26714034 0.72 MME (0.33) MMEACEITGB1ITGA4ALDH1A1
SCHEMBL11003404 0.71 MME (0.46) MMEACE
SCHEMBL9089035 0.71 MME (0.46) MMEACE

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-A1 PROPIONIC ACIDS, PROPIONIC ACID ESTERS, AND RELATED COMPOUNDS Promentis Pharmaceuticals, Inc. (US) 2015-10-28 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-8815905-B2 Propionic acids, propionic acid esters, and related compounds PROMENTIS PHARMACEUTICALS, INC. (US) 2014-08-26 US disclosed
US-8815905-B2 Propionic acids, propionic acid esters, and related compounds PROMENTIS PHARMACEUTICALS, INC. (US) 2014-08-26 US disclosed
EP-2545033-A2 PROPIONIC ACIDS, PROPIONIC ACID ESTERS, AND RELATED COMPOUNDS Promentis Pharmaceuticals, Inc. (US) 2013-01-16 EP disclosed
WO-2011112535-A2 PROPIONIC ACIDS, PROPIONIC ACID ESTERS, AND RELATED COMPOUNDS PROMENTIS PHARMACEUTICALS, INC. (US) 2011-09-15 WO disclosed
US-20110224156-A1 Propionic Acids, Propionic Acid Esters, and Related Compounds ALBANY MOLECULAR RESEARCH, INC. 2011-09-15 US disclosed
US-20110224156-A1 Propionic Acids, Propionic Acid Esters, and Related Compounds ALBANY MOLECULAR RESEARCH, INC. 2011-09-15 US disclosed
US-20110224156-A1 Propionic Acids, Propionic Acid Esters, and Related Compounds ALBANY MOLECULAR RESEARCH, INC. 2011-09-15 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-20110224156-A1 Propionic Acids, Propionic Acid Esters, and Related Compounds PCCA, PC, PMP22 MME 1049/4885BIRC2 3744/4885ACE 641/4885

“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.