SCHEMBL18513225

SCHEMBL18513225

CCNC(CCC(=O)NC(CCC(=O)NC(CCC(=O)C(C)C)C(=O)C(C)C)C(=O)C(C)C)C(=O)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 6/20 0.38
▸ KMT2A Q03164 3/20 0.35
▸ POLB P06746 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ FAAH O00519 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ MMP3 P08254 1/20 0.31
▸ FOLH1 Q04609 2/20 0.30

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
SCHEMBL22692683 0.94 NOD1 (0.35) NOD1KMT2APOLBL3MBTL1
SCHEMBL25773839 0.90 MMP3 (0.32) MMP3FOLH1
SCHEMBL20756564 0.84 NOD1 (0.36) NOD1KMT2APOLBL3MBTL1
SCHEMBL20643464 0.83 NOD1 (0.36) NOD1KMT2APOLBL3MBTL1
SCHEMBL16248525 0.83 NOD1 (0.36) NOD1KMT2APOLBL3MBTL1MEN1
SCHEMBL16248526 0.83 NOD1 (0.36) NOD1KMT2APOLBL3MBTL1MEN1
SCHEMBL25772845 0.81 NOD1 (0.40) NOD1KMT2APOLBFOLH1
SCHEMBL23016490 0.81 NOD1 (0.35) NOD1KMT2APOLBL3MBTL1
SCHEMBL24119914 0.81 NOD1 (0.35) NOD1KMT2APOLBL3MBTL1MEN1
SCHEMBL18513359 0.80 NOD1 (0.34) NOD1KMT2APOLB

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-20170043025-A1 METHOD FOR SYNTHESIS OF REACTIVE CONJUGATE CLUSTERS IONIS PHARMACEUTICALS, INC. (US) 2017-02-16 — — 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-20170043025-A1 METHOD FOR SYNTHESIS OF REACTIVE CONJUGATE CLUSTERS ACOT7, COASY, LCAT NOD1 4057/4885KMT2A 849/4885POLB 1161/4885

“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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