SCHEMBL16264552

SCHEMBL16264552

CCCCCCCCCCCCCCCC(=O)NCCCCC(NC(=O)CCCCCCCCCCC)C(=O)OC

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 3/20 0.58
▸ GLP1R P43220 8/20 0.54
▸ LPAR3 Q9UBY5 4/20 0.53
▸ CASP2 P42575 1/20 0.53
▸ SIRT2 Q8IXJ6 1/20 0.53
▸ SIRT1 Q96EB6 1/20 0.53
▸ SIRT3 Q9NTG7 1/20 0.53
▸ LPAR1 Q92633 2/20 0.52
▸ FAAH O00519 1/20 0.51
▸ EPHX2 P34913 1/20 0.51
▸ NAAA Q02083 1/20 0.50

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
SCHEMBL25542893 1.00 NOD1 (0.58) NOD1GLP1RLPAR3CASP2SIRT2
SCHEMBL25542895 1.00 NOD1 (0.58) NOD1GLP1RLPAR3CASP2SIRT2
SCHEMBL25542898 1.00 NOD1 (0.58) NOD1GLP1RLPAR3CASP2SIRT2
SCHEMBL25542908 1.00 NOD1 (0.58) NOD1GLP1RLPAR3CASP2SIRT2
SCHEMBL19308433 1.00 NOD1 (0.58) NOD1GLP1RLPAR3CASP2SIRT2
SCHEMBL25542902 1.00 NOD1 (0.58) NOD1GLP1RLPAR3CASP2SIRT2
SCHEMBL25542862 1.00 NOD1 (0.58) NOD1GLP1RLPAR3CASP2SIRT2
SCHEMBL16244936 0.94 FAAH (0.54) NOD1GLP1RLPAR3CASP2SIRT2
SCHEMBL25549709 0.93 EPHX2 (0.61) LPAR1EPHX2
SCHEMBL25549652 0.93 EPHX2 (0.61) LPAR1EPHX2

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-9750676-B2 Basic amino acid derivative that demonstrates a gelling ability in a water system AJINOMOTO CO., INC. (JP) 2017-09-05 — — US disclosed
US-20140348767-A1 AMPHOTERIC ION-TYPE BASIC AMINO ACID DERIVATIVE AJINOMOTO CO., INC. (JP) 2014-11-27 — — 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-20140348767-A1 AMPHOTERIC ION-TYPE BASIC AMINO ACID DERIVATIVE SLC7A1, SLC1A5, BCAT1 NOD1 1803/4885GLP1R 2321/4885LPAR3 2685/4885

“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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