SCHEMBL16027313

SCHEMBL16027313

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nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 13/20 0.48
CYP2D6 P10635 1/20 0.37
THRB P10828 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 1/20 0.34
XBP1 P17861 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
OGA O60502 1/20 0.34
PYGL P06737 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL13973622 1.00 ABCB1 (0.48) ABCB1CYP2D6THRBHSD17B10NPC1
SCHEMBL16027312 1.00 ABCB1 (0.48) ABCB1CYP2D6THRBHSD17B10NPC1
SCHEMBL21694355 0.95 ABCB1 (0.49) ABCB1CYP2D6THRBHSD17B10NPC1
SCHEMBL6839082 0.95 ABCB1 (0.49) ABCB1CYP2D6THRBHSD17B10NPC1
SCHEMBL6839079 0.95 ABCB1 (0.49) ABCB1CYP2D6THRBHSD17B10NPC1
SCHEMBL6839119 0.86 ABCB1 (0.47) ABCB1CYP2D6THRBHSD17B10NPC1
SCHEMBL6839121 0.86 ABCB1 (0.47) ABCB1CYP2D6THRBHSD17B10NPC1
SCHEMBL9744999 0.84 ABCB1 (0.40) ABCB1CYP2D6THRBHSD17B10OGA
SCHEMBL9744786 0.84 ABCB1 (0.40) ABCB1CYP2D6THRBHSD17B10OGA
SCHEMBL9744773 0.84 ABCB1 (0.40) ABCB1CYP2D6THRBHSD17B10OGA

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-9890176-B2 Mannose derivatives for treating bacterial infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-02-13 US disclosed
US-20140274930-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-18 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-20140274930-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS TLR5, TLR1, MANBA ABCB1 2759/4885CYP2D6 2933/4885THRB 3734/4885

“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.