SCHEMBL21298844

SCHEMBL21298844

CC(=O)OCc1ccc(NC(=O)[C@H](C)N)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.60
TAAR1 Q96RJ0 2/20 0.53
ALDH1A1 P00352 1/20 0.49
XIAP P98170 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SPHK1 Q9NYA1 4/20 0.43
GAA P10253 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43

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
SCHEMBL25002073 0.88 MEN1 (0.54) LTA4HALDH1A1MEN1KMT2ALMNA
SCHEMBL23690572 0.85 LTA4H (0.58) LTA4HTAAR1XIAPMEN1KMT2A
SCHEMBL24279700 0.84 ALDH1A1 (0.47) LTA4HALDH1A1XIAPMEN1KMT2A
SCHEMBL22154229 0.83 NPC1 (0.48) LTA4HALDH1A1MEN1KMT2ALMNA
SCHEMBL26351482 0.83 NPC1 (0.48) LTA4HALDH1A1MEN1KMT2ALMNA
SCHEMBL13411546 0.81 ALDH1A1 (0.51) LTA4HALDH1A1MEN1KMT2ALMNA
SCHEMBL25854487 0.81 LTA4H (0.43) LTA4HTAAR1MEN1KMT2ALMNA
SCHEMBL20283600 0.81 KMT2A (0.46) LTA4HALDH1A1MEN1KMT2ALMNA
SCHEMBL24753902 0.81 LTA4H (0.59) LTA4HTAAR1XIAPMEN1KMT2A
SCHEMBL22295788 0.81 LTA4H (0.59) LTA4HTAAR1XIAPMEN1KMT2A

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-10392421-B2 Cytotoxic peptides and conjugates thereof NOVARTIS AG (CH) 2019-08-27 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-10392421-B2 Cytotoxic peptides and conjugates thereof CD47, NGLY1, VIP LTA4H 3448/4885TAAR1 4744/4885ALDH1A1 3311/4885

“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.