SCHEMBL2467195

SCHEMBL2467195

CCC(C)C(=O)C(=O)NC(CSSCC(NC(=O)C(=O)C(C)CC)C(=O)OC)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
BIRC2 Q13490 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2C9 P11712 2/20 0.32
ALDH1A1 P00352 1/20 0.32
THRB P10828 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL2403441 0.86 MME (0.33) ITGB1ITGA4BIRC2TAS1R3TAS1R1
SCHEMBL2462316 0.85 ITGB1 (0.43) ITGB1ITGA4TAS1R3TAS1R1CYP2C9
SCHEMBL2467566 0.83 NAALAD2 (0.42) ITGB1ITGA4ALDH1A1
SCHEMBL2467196 0.78
SCHEMBL29716049 0.76 TGFBR1 (0.50) ITGB1ITGA4ALDH1A1
SCHEMBL2460399 0.75 ITGB1 (0.42) ITGB1ITGA4BIRC2TAS1R3TAS1R1
SCHEMBL14693834 0.74 ITGB1 (0.46) ITGB1ITGA4BIRC2L3MBTL1CYP2C9
SCHEMBL14693833 0.74 ITGB1 (0.46) ITGB1ITGA4BIRC2L3MBTL1CYP2C9
SCHEMBL2408947 0.73 ITGB1 (0.48) ITGB1ITGA4ALDH1A1THRB
SCHEMBL2873174 0.73 ITGB1 (0.48) ITGB1ITGA4ALDH1A1THRB

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
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
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 ITGB1 4529/4885ITGA4 4423/4885BIRC2 3744/4885

“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.