SCHEMBL2404413

SCHEMBL2404413

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nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 16/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.40
ITGB1 P05556 2/20 0.40
ITGA4 P13612 2/20 0.40

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
SCHEMBL29263913 0.91 CASP1 (0.41) CASP1SMN1; SMN2ALDH1A1
SCHEMBL10887551 0.90 SMN1; SMN2 (0.45) CASP1SMN1; SMN2ALDH1A1
SCHEMBL16289607 0.90 SMN1; SMN2 (0.46) CASP1SMN1; SMN2ALDH1A1ITGB1ITGA4
SCHEMBL16289609 0.90 SMN1; SMN2 (0.46) CASP1SMN1; SMN2ALDH1A1ITGB1ITGA4
SCHEMBL13116156 0.86 SMN1; SMN2 (0.43) CASP1SMN1; SMN2ALDH1A1
SCHEMBL10980192 0.85 CASP1 (0.40) CASP1SMN1; SMN2ALDH1A1
SCHEMBL21978267 0.84 CASP1 (0.47) CASP1ALDH1A1
SCHEMBL21978269 0.84 CASP1 (0.47) CASP1ALDH1A1
SCHEMBL10885200 0.84 CASP1 (0.47) CASP1ALDH1A1
SCHEMBL10986526 0.83 FOLH1 (0.53) CASP1

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
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
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

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 CASP1 2461/4885SMN1; SMN2 144/4885ALDH1A1 526/4885

“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.