SCHEMBL9980629

SCHEMBL9980629

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nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
GAA P10253 1/20 0.54
TDP1 Q9NUW8 1/20 0.45
CTSS P25774 4/20 0.41
CTSK P43235 4/20 0.41
EPHX1 P07099 1/20 0.41
SDCBP O00560 1/20 0.41
SDC2 P34741 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 1/20 0.41
CAPN1 P07384 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ACE P12821 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40

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
SCHEMBL25968310 1.00 KMT2A (0.54) KMT2AMEN1GAATDP1CTSS
SCHEMBL26346279 0.85 MEN1 (0.50) KMT2AMEN1GAATDP1CTSS
SCHEMBL16620050 0.85 MEN1 (0.52) KMT2AMEN1GAATDP1CA1
SCHEMBL9980688 0.85 SDCBP (0.55) KMT2AMEN1GAATDP1CTSS
SCHEMBL8140353 0.84 KMT2A (0.49) KMT2AMEN1GAATDP1CTSS
SCHEMBL31314679 0.84 KMT2A (0.49) KMT2AMEN1GAATDP1CTSS
SCHEMBL15663375 0.84 MEN1 (0.43) KMT2AMEN1GAATDP1CTSK
SCHEMBL9980668 0.82 CAPN1 (0.54) KMT2AMEN1GAATDP1CTSS
SCHEMBL28230790 0.82 MEN1 (0.51) KMT2AMEN1GAATDP1CTSS
SCHEMBL31069956 0.81 KMT2A (0.46) KMT2AMEN1GAATDP1CTSS

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.