SCHEMBL16244963

SCHEMBL16244963

CCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCN(C)C)C(=O)OCC

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DNM1 Q05193 2/20 0.60
▸ KMT2A Q03164 2/20 0.53
▸ NOD1 Q9Y239 3/20 0.53
▸ SIRT2 Q8IXJ6 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ GLP1R P43220 8/20 0.48
▸ LPAR3 Q9UBY5 2/20 0.46

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
SCHEMBL16245210 0.92 DNM1 (0.61) DNM1NOD1SIRT2GLP1RLPAR3
SCHEMBL16247362 0.92 KMT2A (0.62) KMT2ANOD1POLBGLP1RLPAR3
SCHEMBL7605823 0.92 KMT2A (0.62) KMT2ANOD1POLBGLP1RLPAR3
SCHEMBL3691278 0.92 KMT2A (0.62) KMT2ANOD1POLBGLP1RLPAR3
SCHEMBL16247361 0.92 KMT2A (0.62) KMT2ANOD1POLBGLP1RLPAR3
SCHEMBL21842545 0.89 KMT2A (0.62) DNM1KMT2ANOD1POLB
SCHEMBL19308453 0.89 KMT2A (0.53) DNM1KMT2ANOD1SIRT2POLB
SCHEMBL16244978 0.86 KMT2A (0.55) KMT2ANOD1POLBGLP1RLPAR3
SCHEMBL13870513 0.84 KMT2A (0.52) DNM1KMT2ANOD1SIRT2POLB
SCHEMBL12848289 0.84 KMT2A (0.52) DNM1KMT2ANOD1SIRT2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2813488-A1 AMPHOTERIC ION-TYPE BASIC AMINO ACID DERIVATIVE AJINOMOTO CO., INC. (JP) 2014-12-17 — — EP claimed
US-20140348767-A1 AMPHOTERIC ION-TYPE BASIC AMINO ACID DERIVATIVE AJINOMOTO CO., INC. (JP) 2014-11-27 — — US claimed
EP-2813488-B1 AMPHOTERIC ION-TYPE BASIC AMINO ACID DERIVATIVE AJINOMOTO KK (JP) 2018-05-16 — — EP disclosed
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
EP-2813488-A1 AMPHOTERIC ION-TYPE BASIC AMINO ACID DERIVATIVE AJINOMOTO CO., INC. (JP) 2014-12-17 — — EP 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 DNM1 2309/4885KMT2A 1448/4885NOD1 1803/4885

“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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