SCHEMBL9980754

SCHEMBL9980754

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nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
CTSK P43235 7/20 0.46
CTSS P25774 6/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
GLS O94925 1/20 0.42
CYP2D6 P10635 1/20 0.41
GLA P06280 1/20 0.41
ATM Q13315 1/20 0.40
MME P08473 1/20 0.40
ACE P12821 1/20 0.40
CPA1 P15085 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
CA12 O43570 1/20 0.39
CA14 Q9ULX7 1/20 0.39

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
SCHEMBL17664986 1.00 KMT2A (0.50) KMT2ACTSKCTSSCA1CA2
SCHEMBL10607843 1.00 KMT2A (0.50) KMT2ACTSKCTSSCA1CA2
SCHEMBL30471514 1.00 KMT2A (0.50) KMT2ACTSKCTSSCA1CA2
SCHEMBL9980671 1.00 KMT2A (0.50) KMT2ACTSKCTSSCA1CA2
SCHEMBL7057277 1.00 KMT2A (0.50) KMT2ACTSKCTSSCA1CA2
SCHEMBL7439787 1.00 KMT2A (0.50) KMT2ACTSKCTSSCA1CA2
SCHEMBL30471384 1.00 KMT2A (0.50) KMT2ACTSKCTSSCA1CA2
SCHEMBL6891888 1.00 KMT2A (0.50) KMT2ACTSKCTSSCA1CA2
SCHEMBL148100 0.92 CA1 (0.52) KMT2ACTSKCTSSCA1CA2
SCHEMBL148099 0.92 CA1 (0.52) KMT2ACTSKCTSSCA1CA2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10259846-B2 Bouvardin derivatives and therapeutic uses thereof THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2019-04-16 US disclosed
EP-3345624-A1 BOUVARDIN DERIVATIVES AND THERAPEUTIC USES THEREOF The Regents Of The University Of Colorado (US) 2018-07-11 EP disclosed
EP-2817004-B1 BOUVARDIN DERIVATIVES AND THERAPEUTIC USES THEREOF UNIV COLORADO REGENTS (US) 2018-04-11 EP disclosed
US-20170218025-A1 BOUVARDIN DERIVATIVES AND THERAPEUTIC USES THEREOF SUVICA, INC. 2017-08-03 US disclosed
US-9452215-B2 Bourvadin derivatives and therapeutic uses thereof THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2016-09-27 US disclosed
US-20150238562-A1 BOURVADIN DERIVATIVES AND THERAPEUTIC USES THEREOF THE REGENTS OF THE UNIVERSITY OF COLORADO 2015-08-27 US disclosed
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 (4 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-10259846-B2 Bouvardin derivatives and therapeutic uses thereof EIF4E, EIF4EBP1, RPL30 KMT2A 2637/4885CTSK 2933/4885CTSS 3663/4885
US-20110294719-A1 DIPEPTOID PRODRUGS AND THE USE THEREOF DPP4, DPP3, DNPEP KMT2A 3242/4885CTSK 3343/4885CTSS 4178/4885
US-20170218025-A1 BOUVARDIN DERIVATIVES AND THERAPEUTIC USES THEREOF EIF4E, EIF4EBP1, RPL30 KMT2A 2637/4885CTSK 2933/4885CTSS 3663/4885
US-20150238562-A1 BOURVADIN DERIVATIVES AND THERAPEUTIC USES THEREOF RPL27, EIF4E, RPL30 KMT2A 2928/4885CTSK 2926/4885CTSS 3761/4885

“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.