SCHEMBL10074561

SCHEMBL10074561

CC(=O)CCCCCCCCCCCNC(=O)CC(N)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 3/20 0.45
▸ PAOX Q6QHF9 4/20 0.45
▸ ADRA1A P35348 1/20 0.43
▸ OTC P00480 1/20 0.42
▸ GRIK1 P39086 1/20 0.40
▸ CASP2 P42575 1/20 0.40
▸ FNTA P49354 1/20 0.39
▸ FNTB P49356 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ PRMT1 Q99873 1/20 0.38
▸ NAAA Q02083 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL750775 0.83 CASP2 (0.55) NOD1GRIK1CASP2NAAA
SCHEMBL24696810 0.83 CASP2 (0.55) NOD1GRIK1CASP2NAAA
SCHEMBL733986 0.83 CASP2 (0.55) NOD1GRIK1CASP2NAAA
SCHEMBL19302563 0.82 ADRA1A (0.44) PAOXADRA1ACASP2KDM4EMAPK1
SCHEMBL13585143 0.81 KDM4E (0.47) NOD1PAOXADRA1AOTCGRIK1
SCHEMBL13585140 0.81 KDM4E (0.47) NOD1PAOXADRA1AOTCGRIK1
SCHEMBL23253739 0.81 PAOX (0.45) PAOXADRA1ACASP2KDM4EMAPK1
SCHEMBL12173943 0.80 SMN1; SMN2 (0.53) PAOXADRA1ACASP2KDM4EMAPK1
SCHEMBL17451658 0.80 GSR (0.52) PAOXOTCGRIK1MEN1KMT2A
SCHEMBL18350239 0.80 OTC (0.58) NOD1OTC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772226-B2 Methods and compositions for the detection of cancer THE JOHNS HOPKINS UNIVERSITY (US) 2014-07-08 — — US disclosed
US-20120093724-A1 METHODS AND COMPOSITIONS FOR THE DETECTION OF CANCER THE JOHNS HOPKINS UNIVERSITY (US) 2012-04-19 — — 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-20120093724-A1 METHODS AND COMPOSITIONS FOR THE DETECTION OF CANCER KLK3, KLK2, KLK5 NOD1 3174/4885PAOX 3960/4885ADRA1A 4223/4885

“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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