SCHEMBL9980711

SCHEMBL9980711

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nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
CTSS P25774 5/20 0.43
CTSK P43235 5/20 0.43
SDCBP O00560 1/20 0.42
SDC2 P34741 1/20 0.42
APP P05067 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CYP2D6 P10635 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
TSHR P16473 1/20 0.38
KLK5 Q9Y337 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
APLNR P35414 1/20 0.35

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
SCHEMBL4754099 0.89 CTSK (0.51) KMT2AMEN1GAACTSSCTSK
SCHEMBL4754096 0.89 CTSK (0.51) KMT2AMEN1GAACTSSCTSK
SCHEMBL5576894 0.87 KLK5 (0.44) KMT2AMEN1GAACTSSCTSK
SCHEMBL2255391 0.87 KLK5 (0.44) KMT2AMEN1GAACTSSCTSK
SCHEMBL16318218 0.85 MEN1 (0.43) KMT2AMEN1GAACTSSCTSK
SCHEMBL1057086 0.85 CTSS (0.54) KMT2AMEN1GAACTSSCTSK
SCHEMBL5137475 0.84 FNTA (0.40) KMT2AMEN1GAACTSSCTSK
SCHEMBL5137476 0.84 FNTA (0.40) KMT2AMEN1GAACTSSCTSK
SCHEMBL12292647 0.84 MEN1 (0.42) KMT2AMEN1GAACTSSCTSK
SCHEMBL2924454 0.84 KMT2A (0.42) KMT2AMEN1GAACTSSCTSK

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-8741834-B2 Dipeptoid prodrugs and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-03 US disclosed
US-20110294719-A1 DIPEPTOID PRODRUGS AND THE USE THEREOF Bayer Schering Pharma 2011-12-01 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-20110294719-A1 DIPEPTOID PRODRUGS AND THE USE THEREOF DPP4, DPP3, DNPEP KMT2A 3242/4885MEN1 2410/4885GAA 2730/4885

“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.