SCHEMBL15514180

SCHEMBL15514180

CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@H](CO)[C@@H](O)[C@@H]1OC(C)C(=O)NC(C)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.49
▸ MAG P20916 1/20 0.48
▸ NOD2 Q9HC29 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ LGALS8 O00214 1/20 0.42
▸ ANPEP P15144 2/20 0.42
▸ LGALS3 P17931 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HRAS P01112 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ SYNJ2 O15056 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ ALPL P05186 1/20 0.40
▸ ALPI P09923 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALPG P10696 1/20 0.40
▸ PABPC1 P11940 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
SCHEMBL15514179 1.00 MAPK1 (0.49) MAPK1MAGNOD2ALDH1A1THRB
SCHEMBL15508150 0.90 MAPK1 (0.50) MAPK1MAGNOD2ALDH1A1THRB
SCHEMBL15504317 0.88 MAPK1 (0.64) MAPK1NOD2ALDH1A1THRBANPEP
SCHEMBL15513895 0.88 MAPK1 (0.64) MAPK1NOD2ALDH1A1THRBANPEP
SCHEMBL15508077 0.88 MAPK1 (0.64) MAPK1NOD2ALDH1A1THRBANPEP
SCHEMBL15504330 0.88 MAPK1 (0.64) MAPK1NOD2ALDH1A1THRBANPEP
SCHEMBL15514519 0.88 MAPK1 (0.64) MAPK1NOD2ALDH1A1THRBANPEP
SCHEMBL15514521 0.88 MAPK1 (0.64) MAPK1NOD2ALDH1A1THRBANPEP
SCHEMBL7155850 0.88 MAPK1 (0.64) MAPK1MAGALDH1A1THRBLGALS8
SCHEMBL7155841 0.88 MAPK1 (0.64) MAPK1MAGALDH1A1THRBLGALS8

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-20140073589-A1 Amphetamine Prodrugs SHIRE AG (CH) 2014-03-13 — — 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-20140073589-A1 Amphetamine Prodrugs SLC6A2, SLC6A3, TAAR5 MAPK1 3205/4885MAG 373/4885NOD2 3141/4885

“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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