SCHEMBL18513361

SCHEMBL18513361

CCC(=O)C(CCCCNC(C)C)NC(=O)C(CCCCNC(=O)CCCCC(C)C)NC(C)C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NMT2 O60551 1/20 0.40
▸ NMT1 P30419 1/20 0.40
▸ NOD1 Q9Y239 1/20 0.35
▸ GLP1R P43220 8/20 0.35
▸ TLR2 O60603 1/20 0.34
▸ CAPN1 P07384 1/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ CNR1 P21554 1/20 0.33
▸ ALB P02768 2/20 0.33
▸ EPHX2 P34913 2/20 0.33
▸ SIRT2 Q8IXJ6 1/20 0.33

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
SCHEMBL18973016 0.92 NMT1 (0.48) NMT2NMT1NOD1GLP1RTLR2
SCHEMBL22692648 0.91 NMT2 (0.40) NMT2NMT1NOD1GLP1RTLR2
SCHEMBL22857340 0.90 NMT2 (0.40) NMT2NMT1NOD1GLP1RTLR2
SCHEMBL24119975 0.89 NMT2 (0.46) NMT2NMT1NOD1GLP1RTLR2
SCHEMBL23626256 0.89 NMT2 (0.42) NMT2NMT1NOD1GLP1RTLR2
SCHEMBL20053467 0.88 NMT2 (0.41) NMT2NMT1NOD1GLP1RTLR2
SCHEMBL18513360 0.87 MEN1 (0.40) NMT2NMT1NOD1NAMPTCNR1
SCHEMBL20099362 0.86 NMT2 (0.53) NMT2NMT1NOD1GLP1RTLR2
SCHEMBL18879491 0.84 GLP1R (0.49) NMT2NMT1NOD1GLP1RTLR2
SCHEMBL22692674 0.82 NMT1 (0.52) NMT2NMT1NOD1GLP1RTLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210087566-A1 COMPOSITIONS AND METHODS FOR MODULATING APOLIPOPROTEIN (a) EXPRESSION IONIS PHARMACEUTICALS, INC. 2021-03-25 — — US disclosed
US-20170145424-A1 COMPOSITIONS AND METHODS FOR ENHANCED INTESTINAL ABSORPTION OF CONJUGATED OLIGOMERIC COMPOUNDS IONIS PHARMACEUTICALS, INC. (US) 2017-05-25 — — US disclosed
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 (3 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-20210087566-A1 COMPOSITIONS AND METHODS FOR MODULATING APOLIPOPROTEIN (a) EXPRESSION APOB, APOL1, LDLR NMT2 241/4885NMT1 247/4885NOD1 318/4885
US-20170043025-A1 METHOD FOR SYNTHESIS OF REACTIVE CONJUGATE CLUSTERS ACOT7, COASY, LCAT NMT2 25/4885NMT1 58/4885NOD1 4057/4885
US-20170145424-A1 COMPOSITIONS AND METHODS FOR ENHANCED INTESTINAL ABSORPTION OF CONJUGATED OLIGOMERIC COMPOUNDS SI, FABP2, GNE NMT2 65/4885NMT1 63/4885NOD1 191/4885

“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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