Sugi Predict

Sugi Predict / Compounds / SCHEMBL888599

SCHEMBL888599

SCHEMBL888599

CC(C)(C)OC(=O)N1CCc2c1ccc1[nH]c(C(=O)Oc3c(F)c(F)cc(F)c3F)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 4/20 0.39
▸ BRD3 Q15059 2/20 0.37
▸ DHODH Q02127 1/20 0.34
▸ TRPV1 Q8NER1 2/20 0.34
▸ HRH4 Q9H3N8 2/20 0.33
▸ UCHL1 P09936 2/20 0.33
▸ GABRA1 P14867 2/20 0.33
▸ GABRG2 P18507 2/20 0.33
▸ GABRB3 P28472 2/20 0.33
▸ GABRA3 P34903 2/20 0.33
▸ GABRA2 P47869 2/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA4 P48169 1/20 0.33
▸ GABRA6 Q16445 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ MAPT P10636 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
SCHEMBL14356126 0.96 RAB9A (0.37) GPR119BRD3DHODHTRPV1HRH4
SCHEMBL3494654 0.86 HRH4 (0.35) HRH4MAPT
SCHEMBL14356123 0.86 MEN1 (0.35) TRPV1HRH4HDAC1MAPT
SCHEMBL3491372 0.85 HDAC1 (0.42) GPR119BRD3DHODHUCHL1GABRA1
SCHEMBL13183208 0.83 HRH4 (0.39) HRH4HDAC1
SCHEMBL889791 0.83 RAB9A (0.39) HRH4MAPT
SCHEMBL13183290 0.83 HRH4 (0.39) HRH4MAPT
SCHEMBL13783567 0.83 RAB9A (0.39) HRH4MAPT
SCHEMBL532456 0.83 DHODH (0.41) GPR119BRD3DHODHTRPV1UCHL1
SCHEMBL13003092 0.79 GPR119 (0.34) GPR119BRD3DHODHHRH4UCHL1

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 19 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
CN-101914099-A Covalently linked oligonucleotide minor groove binder conjugates EPOCH BIOSCIENCES INC 2010-12-15 — — CN 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
EP-0819133-B1 COVALENTLY LINKED OLIGONUCLEOTIDE MINOR GROOVE BINDER CONJUGATES EPOCH BIOSCIENCES INC (US) 2008-01-02 — — EP disclosed
CN-1644585-A Covalently linked oligonucleotide minor grove binder conjugates EPOCH PHARMACEUTICALS INC (US) 2005-07-27 — — CN 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
CN-1187363-C Covalently bound oligonucleotide minor groove binder conjugates IBORCH PHARMACEUTICAL CORP (US) 2005-02-02 — — CN 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
US-5801155-A Covalently linked oligonucleotide minor grove binder conjugates EPOCH PHARMACEUTICALS, INC. (US) 1998-09-01 — — US disclosed
CN-1186496-A Covalently bound oligonucleotide minor groove binder conjugates IBORCH PHARMACEUTICAL CORP (US) 1998-07-01 — — CN 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 GPR119 2142/4885BRD3 1433/4885DHODH 2763/4885
US-20050064463-A1 Hybridization and mismatch discrimination using oligonucleotides conjugated to minor groove binders DDB1, LIG3, MSH2 GPR119 4331/4885BRD3 514/4885DHODH 1888/4885
US-20090048427-A1 HYBRIDIZATION AND MISMATCH DISCRIMINATION USING OLIGONUCLEOTIDES CONJUGATED TO MINOR GROOVE BINDERS DDB1, LIG3, MSH2 GPR119 4331/4885BRD3 514/4885DHODH 1888/4885

“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.