SCHEMBL1370327

SCHEMBL1370327

N=C(N)NCCCC(NC(=O)C1CCCN1C(=O)C(CS)N(C(=O)C(N)CS)C(=O)C(CC(N)=O)NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTRB1 P17538 1/20 0.42
▸ NMUR2 Q9GZQ4 7/20 0.42
▸ NMUR1 Q9HB89 7/20 0.42
▸ MALT1 Q9UDY8 1/20 0.41
▸ DPP4 P27487 2/20 0.41
▸ DPP8 Q6V1X1 2/20 0.41
▸ DPP9 Q86TI2 1/20 0.41
▸ DPP7 Q9UHL4 1/20 0.41
▸ MAPK8 P45983 1/20 0.41
▸ MAPK9 P45984 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ F2 P00734 1/20 0.40
▸ EPHA2 P29317 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA2B P29275 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ OPRM1 P35372 1/20 0.38
▸ OPRD1 P41143 1/20 0.38

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
SCHEMBL1370330 0.86 MAPK8 (0.51) CTRB1NMUR2NMUR1MALT1MAPK8
SCHEMBL29872221 0.84 DPP4 (0.52) CTRB1NMUR2NMUR1MALT1DPP4
SCHEMBL9450497 0.83 DPP4 (0.47) CTRB1NMUR2NMUR1MALT1DPP4
SCHEMBL27941931 0.80 NMUR2 (0.37) NMUR2NMUR1MAPK8MAPK9MAPK10
SCHEMBL9450487 0.79 CMA1 (0.47) CTRB1NMUR2NMUR1MALT1DPP4
SCHEMBL11063150 0.79 CTRB1 (0.57) CTRB1
SCHEMBL11063141 0.79 CTRB1 (0.57) CTRB1
SCHEMBL29388202 0.78 PREP (0.51) CTRB1DPP4DPP8DPP9DPP7
SCHEMBL9450499 0.78 EPHA2 (0.50) NMUR2NMUR1MALT1DPP4DPP8
SCHEMBL2119635 0.77 F2 (0.57) F2OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160263235-A1 PEPTIDE THERAPEUTIC CONJUGATES AND USES THEREOF ANGIOCHEM INC (CA) 2016-09-15 — — US disclosed
EP-2794663-A1 PEPTIDE THERAPEUTIC CONJUGATES AND USES THEREOF Angiochem Inc. (CA) 2014-10-29 — — EP disclosed
US-20110288011-A1 PEPTIDE THERAPEUTIC CONJUGATES AND USES THEREOF ANGIOCHEM INC. (CA) 2011-11-24 — — US disclosed
WO-2010063124-A1 PEPTIDE THERAPEUTIC CONJUGATES AND USES THEREOF ANGIOCHEM INC. (CA) 2010-06-10 — — WO 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-20160263235-A1 PEPTIDE THERAPEUTIC CONJUGATES AND USES THEREOF VIP, SLC1A5, SLC47A1 CTRB1 781/4885NMUR2 1515/4885NMUR1 1135/4885
US-20110288011-A1 PEPTIDE THERAPEUTIC CONJUGATES AND USES THEREOF VIP, SLC1A5, SLC47A1 CTRB1 781/4885NMUR2 1515/4885NMUR1 1135/4885

“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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