SCHEMBL4082850

SCHEMBL4082850

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nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.39
PDCD1LG2 Q9BQ51 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
NOD1 Q9Y239 1/20 0.34
PRMT1 Q99873 1/20 0.34
OPRM1 P35372 4/20 0.34
OPRD1 P41143 4/20 0.34
OPRK1 P41145 2/20 0.33
MME P08473 3/20 0.33
PTGS1 P23219 1/20 0.32
GSTK1 Q9Y2Q3 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
SCHEMBL29416467 0.83 TGFBR1 (0.46) TGFBR1NOD1OPRM1OPRD1OPRK1
SCHEMBL29630639 0.82 TGFBR1 (0.42) TGFBR1OPRM1OPRD1OPRK1MME
SCHEMBL4097970 0.81 TGFBR1 (0.45) TGFBR1NOD1MME
SCHEMBL29590315 0.81 PTGS1 (0.42) TGFBR1OPRM1OPRD1OPRK1MME
SCHEMBL29867949 0.81 PTGS1 (0.42) TGFBR1OPRM1OPRD1OPRK1MME
SCHEMBL29528046 0.81 TGFBR1 (0.43) TGFBR1NOD1OPRM1OPRD1OPRK1
SCHEMBL29527284 0.81 TGFBR1 (0.43) TGFBR1NOD1OPRM1OPRD1OPRK1
SCHEMBL29540545 0.81 PTGS1 (0.43) TGFBR1NOD1OPRM1OPRD1OPRK1
SCHEMBL29528171 0.81 TGFBR1 (0.43) TGFBR1NOD1OPRM1OPRD1OPRK1
SCHEMBL29382390 0.81 TGFBR1 (0.43) TGFBR1NOD1OPRM1OPRD1OPRK1

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-20090203582-A1 LYSOBACTIN AMIDES BAYER HEALTHCARE AG (DE) 2009-08-13 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-20090203582-A1 LYSOBACTIN AMIDES AADAT, HAMP, DLST TGFBR1 2913/4885PDCD1LG2 4789/4885CD274 4278/4885

“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.