SCHEMBL19733583

SCHEMBL19733583

C[C@@H](C(=O)O)N(C)C(=O)CCCC(=O)NCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ FOLH1 Q04609 3/20 0.31
▸ GLP1R P43220 3/20 0.30

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
SCHEMBL19733465 0.87 HPGD (0.32) HPGDHTTSMN1; SMN2
SCHEMBL19733633 0.85 — —
SCHEMBL19733637 0.83 MGLL (0.31) —
SCHEMBL4964608 0.80 HPGD (0.45) HPGDHTTSMN1; SMN2GLP1R
SCHEMBL21767237 0.80 SMN1; SMN2 (0.45) HPGDHTTSMN1; SMN2GLP1R
SCHEMBL20008742 0.80 SMN1; SMN2 (0.48) HPGDHTTSMN1; SMN2
SCHEMBL18885626 0.80 SMN1; SMN2 (0.42) HPGDHTTSMN1; SMN2
SCHEMBL19732580 0.79 HPGD (0.43) HPGDHTTSMN1; SMN2GLP1R
SCHEMBL20365824 0.79 SMN1; SMN2 (0.46) HPGDHTTSMN1; SMN2
SCHEMBL15773229 0.79 SMN1; SMN2 (0.42) HPGDHTTSMN1; SMN2FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170360952-A1 BIOMOLECULE CONJUGATES CELGENE CORPORATION 2017-12-21 — — 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-20170360952-A1 BIOMOLECULE CONJUGATES DNPEP, NAPA, NCL HPGD 1387/4885HTT 2474/4885SMN1; SMN2 1905/4885

“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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