SCHEMBL888338

SCHEMBL888338

O=C(CCNC(=O)OCC1c2ccccc2-c2ccccc21)NC[C@@H](O)CO

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
TLR2 O60603 2/20 0.45
EPHX2 P34913 1/20 0.44

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
SCHEMBL888340 1.00 KMT2A (0.57) KMT2ATLR2EPHX2
SCHEMBL889971 1.00 KMT2A (0.57) KMT2ATLR2EPHX2
SCHEMBL12703680 0.89 KMT2A (0.55) KMT2AEPHX2
SCHEMBL12761610 0.84 KMT2A (0.59) KMT2AEPHX2
SCHEMBL3140809 0.82 KMT2A (0.73) KMT2ATLR2EPHX2
SCHEMBL13525077 0.82 KMT2A (0.73) KMT2ATLR2EPHX2
SCHEMBL889867 0.81 KMT2A (0.65) KMT2ATLR2EPHX2
SCHEMBL888350 0.81 KMT2A (0.65) KMT2ATLR2EPHX2
SCHEMBL888348 0.81 KMT2A (0.65) KMT2ATLR2EPHX2
SCHEMBL30861274 0.81 MDM4 (0.52) KMT2ATLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8465921-B2 Hybridization and mismatch discrimination using oligonucleotides conjugated to minor groove binders ELITECH HOLDING B.V. (NL) 2013-06-18 US disclosed
US-20110275070-A1 HYBRIDIZATION AND MISMATCH DISCRIMINATION USING OLIGONUCLEOTIDES CONJUGATED TO MINOR GROOVE BINDERS EPOCH PHARMACEUTICALS, INC. 2011-11-10 US disclosed
US-7794945-B2 Hybridization and mismatch discrimination using oligonucleotides conjugated to minor groove binders ELITECH HOLDING B.V. (NL) 2010-09-14 US disclosed
US-7556923-B1 Hybridization and mismatch discrimination using oligonucleotides conjugated to minor groove binders EPOCH BIOSCIENCES, INC. (US) 2009-07-07 US disclosed
US-20090048427-A1 HYBRIDIZATION AND MISMATCH DISCRIMINATION USING OLIGONUCLEOTIDES CONJUGATED TO MINOR GROOVE BINDERS EPOCH BIOSCIENCES, INC. (US) 2009-02-19 US disclosed
US-6884584-B2 Hybridization and mismatch discrimination using oligonucleotides conjugated to minor groove binders EPOCH BIOSCIENCES, INC. (US) 2005-04-26 US disclosed
US-20050064463-A1 Hybridization and mismatch discrimination using oligonucleotides conjugated to minor groove binders DRUG ROYALTY LP1 (CA) 2005-03-24 US disclosed
US-20040058322-A1 Hybridization and mismatch discrimination using oligonucleotides conjugated to minor groove binders EPOCH PHARMACEUTICALS, INC. (US) 2004-03-25 US disclosed
US-6492346-B1 Hybridization and mismatch discrimination using oligonucleotides conjugated to minor groove binders EPOCH PHARMACEUTICALS, INC. 2002-12-10 US disclosed
US-6486308-B2 NUCLEOTIDE SEQUENCE BINDING PARTICLES; FOR USE AS THERAPEUTIC AND DIAGNOSTIC TOOLS EPOCH BIOSCIENCES, INC. 2002-11-26 US disclosed
US-6426408-B1 PLURALITY OF NUCLEOTIDE UNITS WITH LINKING GROUP EPOCH BIOSCIENCES, INC. 2002-07-30 US disclosed
US-20020052482-A1 Covalently linked oligonucleotide minor grove binder conjugates MICROPROBE 2002-05-02 US disclosed
US-6312894-B1 HYBRIDIZATION OF OLIGONUCLEOTIDES AND MINOR GROOVE BINDER COMBINATION; WHERE THE MINOR GROOVE BINDER BINDS IN A NON-INTERCALATING MANNER WITH A HIGHER ASSOCIATION CONSTANT EPOCH PHARMACEUTICALS, INC. 2001-11-06 US disclosed
US-6084102-A THE OLIGONUCLEOTIDE IS COMPLEMENTARY TO A TARGET SEQUENCE OF SINGLE STRANDED OR DOUBLE STRANDED DNA, RNA OR HYBRIDS AND, WHEN USED AS A PROBE, BINDS MORE STRONGLY BECAUSE OF THE BOUND MINOR GROVE BINDER; MEDICAL DIAGNOSIS; ANTISENSE THERAPY EPOCH PHARMACEUTICALS, INC. (US) 2000-07-04 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 (3 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-20020052482-A1 Covalently linked oligonucleotide minor grove binder conjugates CD2BP2, MICA, SELPLG KMT2A 2002/4885TLR2 2047/4885EPHX2 4000/4885
US-20050064463-A1 Hybridization and mismatch discrimination using oligonucleotides conjugated to minor groove binders DDB1, LIG3, MSH2 KMT2A 3342/4885TLR2 4198/4885EPHX2 3287/4885
US-20090048427-A1 HYBRIDIZATION AND MISMATCH DISCRIMINATION USING OLIGONUCLEOTIDES CONJUGATED TO MINOR GROOVE BINDERS DDB1, LIG3, MSH2 KMT2A 3342/4885TLR2 4198/4885EPHX2 3287/4885

“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.