SCHEMBL17015163

SCHEMBL17015163

CC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 5/20 0.47
▸ F2 P00734 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CTSK P43235 1/20 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
SCHEMBL16316793 0.95 ALDH1A1 (0.44) PREPF2ALDH1A1SMN1; SMN2CTSK
SCHEMBL15805130 0.95 ALDH1A1 (0.44) PREPF2ALDH1A1SMN1; SMN2CTSK
SCHEMBL16316767 0.95 ALDH1A1 (0.44) PREPF2ALDH1A1SMN1; SMN2CTSK
SCHEMBL30139033 0.90 ALDH1A1 (0.53) PREPF2ALDH1A1SMN1; SMN2
SCHEMBL29074158 0.90 ALDH1A1 (0.53) PREPF2ALDH1A1SMN1; SMN2
SCHEMBL28510226 0.90 ALDH1A1 (0.53) PREPF2ALDH1A1SMN1; SMN2
SCHEMBL17020369 0.89 PREP (0.48) PREPF2ALDH1A1
SCHEMBL29378245 0.84 ALDH1A1 (0.58) PREPF2ALDH1A1SMN1; SMN2
SCHEMBL29549607 0.84 ALDH1A1 (0.58) PREPF2ALDH1A1SMN1; SMN2
SCHEMBL119560 0.84 ALDH1A1 (0.58) PREPF2ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170247324-A1 ALDEHYDE CAPTURE LIGATION TECHNOLOGY FOR SYNTHESIS OF AMIDE BONDS UNIV NEW YORK (US) 2017-08-31 — — US disclosed
US-9593142-B2 Aldehyde capture ligation technology for synthesis of amide bonds NEW YORK UNIVERSITY (US) 2017-03-14 — — US disclosed
US-20150232504-A1 ALDEHYDE CAPTURE LIGATION TECHNOLOGY FOR SYNTHESIS OF AMIDE BONDS NEW YORK UNIVERSITY (US) 2015-08-20 — — 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-20170247324-A1 ALDEHYDE CAPTURE LIGATION TECHNOLOGY FOR SYNTHESIS OF AMIDE BONDS ALDH3A1, ALDH2, ALDH1A1 PREP 1036/4885F2 1690/4885ALDH1A1 3/4885
US-20150232504-A1 ALDEHYDE CAPTURE LIGATION TECHNOLOGY FOR SYNTHESIS OF AMIDE BONDS ALDH3A1, ALDH2, ALDH1A1 PREP 1036/4885F2 1690/4885ALDH1A1 3/4885

“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.

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