SCHEMBL18234267

SCHEMBL18234267

NCCCCC(N)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CO)C(=O)NCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NMT1 P30419 13/20 0.53
▸ NMT2 O60551 12/20 0.53
▸ TLR2 O60603 2/20 0.44
▸ PTGS1 P23219 1/20 0.43
▸ GSTK1 Q9Y2Q3 1/20 0.43
▸ TERT O14746 1/20 0.42
▸ GLO1 Q04760 1/20 0.41

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
SCHEMBL18234163 0.99 NMT1 (0.51) NMT1NMT2TLR2PTGS1GSTK1
SCHEMBL31665964 0.95 NMT1 (0.50) NMT1NMT2TLR2PTGS1GSTK1
SCHEMBL18234160 0.93 NMT1 (0.52) NMT1NMT2TLR2TERT
SCHEMBL29737833 0.91 NMT1 (0.45) NMT1NMT2TLR2PTGS1GSTK1
SCHEMBL29737836 0.91 NMT1 (0.45) NMT1NMT2TLR2PTGS1GSTK1
SCHEMBL29945241 0.90 TERT (0.46) NMT1NMT2TLR2PTGS1GSTK1
SCHEMBL29569500 0.90 PTGS1 (0.43) NMT1NMT2PTGS1GSTK1TERT
SCHEMBL29569082 0.90 PTGS1 (0.43) NMT1NMT2PTGS1GSTK1TERT
SCHEMBL29569342 0.90 PTGS1 (0.43) NMT1NMT2PTGS1GSTK1TERT
SCHEMBL30984644 0.90 TERT (0.50) NMT1NMT2PTGS1GSTK1TERT

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-20160331841-A1 BIOCONJUGATES AND USES THEREOF SYMIC IP, LLC 2016-11-17 — — 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-20160331841-A1 BIOCONJUGATES AND USES THEREOF CD44, VCAM1, ICAM1 NMT1 536/4885NMT2 1097/4885TLR2 1575/4885

“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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