SCHEMBL2460742

SCHEMBL2460742

COC(=O)C(CSC(C)=O)NC(=O)C(=O)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
MME P08473 2/20 0.32
ACE P12821 1/20 0.32
TGFBR1 P36897 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31

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) ITGB1ITGA4MMEACETAS1R3
SCHEMBL2462316 0.85 ITGB1 (0.43) ITGB1ITGA4TGFBR1TAS1R3TAS1R1
SCHEMBL2463012 0.81 BIRC2 (0.33) ITGB1ITGA4MMEACETAS1R3
SCHEMBL9966095 0.81 KDM4E (0.38) ITGB1ITGA4
SCHEMBL6470507 0.81 KDM4E (0.38) ITGB1ITGA4
SCHEMBL5656969 0.81 KDM4E (0.38) ITGB1ITGA4
SCHEMBL9360865 0.76 TAS1R3 (0.50) TAS1R3TAS1R1
SCHEMBL2466367 0.76 NFKB1 (0.31) ITGB1ITGA4
SCHEMBL26714034 0.75 MME (0.33) ITGB1ITGA4MMEACE
SCHEMBL22587229 0.73 ALDH1A1 (0.38) ITGB1ITGA4TAS1R3TAS1R1

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 4423/4885MME 1049/4885

“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.