SCHEMBL17020369

SCHEMBL17020369

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

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 5/20 0.48
▸ ALDH1A1 P00352 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ F2 P00734 2/20 0.43
▸ PDK2 Q15119 1/20 0.43
▸ ALOX5 P09917 1/20 0.42
▸ FKBP1A P62942 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ FABP5 Q01469 1/20 0.40
▸ ACE P12821 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
SCHEMBL15803221 0.96 PDK2 (0.45) PREPALDH1A1CYP3A4TSHRF2
SCHEMBL15083158 0.96 PDK2 (0.45) PREPALDH1A1CYP3A4TSHRF2
SCHEMBL17015163 0.89 PREP (0.47) PREPALDH1A1F2
SCHEMBL28510226 0.88 ALDH1A1 (0.53) PREPALDH1A1F2FABP5ACE
SCHEMBL30139033 0.88 ALDH1A1 (0.53) PREPALDH1A1F2FABP5ACE
SCHEMBL29074158 0.88 ALDH1A1 (0.53) PREPALDH1A1F2FABP5ACE
SCHEMBL17020398 0.85 ALDH1A1 (0.47) PREPALDH1A1CYP3A4TSHRACE
SCHEMBL14417972 0.85 ALDH1A1 (0.46) ALDH1A1TSHRF2FKBP1A
SCHEMBL29384614 0.85 ALDH1A1 (0.43) PREPALDH1A1TSHRF2FKBP1A
SCHEMBL17020437 0.84 PIN1 (0.46) ALDH1A1CYP3A4TSHR

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 1036/4885ALDH1A1 3/4885CYP3A4 1533/4885
US-20150232504-A1 ALDEHYDE CAPTURE LIGATION TECHNOLOGY FOR SYNTHESIS OF AMIDE BONDS ALDH3A1, ALDH2, ALDH1A1 PREP 1036/4885ALDH1A1 3/4885CYP3A4 1533/4885

“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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