SCHEMBL532456

SCHEMBL532456

CC(C)(C)OC(=O)N1CCc2c1ccc1[nH]c(C(=O)O)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.41
GPR119 Q8TDV5 3/20 0.38
UCHL1 P09936 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
BRD3 Q15059 2/20 0.37
BRD4 O60885 1/20 0.37
KMT2A Q03164 1/20 0.37
CHRM4 P08173 1/20 0.37
DRD2 P14416 1/20 0.37
HTR7 P34969 1/20 0.37
TRPV1 Q8NER1 2/20 0.36
MAPKAPK2 P49137 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36

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
SCHEMBL3491372 0.89 HDAC1 (0.42) DHODHGPR119UCHL1BRD3BRD4
SCHEMBL14387738 0.86 HTR1A (0.39) DHODHGPR119UCHL1KMT2ADRD2
SCHEMBL15493946 0.86 F12 (0.46) DHODHGPR119UCHL1KDM4EALDH1A1
SCHEMBL888599 0.83 GPR119 (0.39) DHODHGPR119UCHL1BRD3BRD4
SCHEMBL887712 0.81 KDM4E (0.43) KDM4EALDH1A1LMNAHSD17B10KMT2A
SCHEMBL14156402 0.81 HSD17B10 (0.43) KDM4EALDH1A1LMNAHSD17B10KMT2A
SCHEMBL14356126 0.80 RAB9A (0.37) DHODHGPR119UCHL1BRD3KMT2A
SCHEMBL16802301 0.79 LEF1 (0.44) KMT2A
SCHEMBL20764331 0.79 NOTUM (0.44) KDM4EALDH1A1LMNAHSD17B10KMT2A
SCHEMBL15493945 0.79 BRD4 (0.46) DHODHGPR119UCHL1BRD4

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 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121667-B1 CHEMICAL LINKERS WITH SINGLE AMINO ACIDS AND CONJUGATES THEREOF SQUIBB & SONS LLC (US) 2016-06-08 EP disclosed
EP-2121667-B1 CHEMICAL LINKERS WITH SINGLE AMINO ACIDS AND CONJUGATES THEREOF SQUIBB & SONS LLC (US) 2016-06-08 EP disclosed
EP-1687609-B1 FLUORESCENT PROBES FOR DNA DETECTION BY HYBRIDIZATION WITH IMPROVED SENSITIVITY AND LOW BACKGROUND EPOCH BIOSCIENCES INC (US) 2014-12-10 EP disclosed
EP-1687609-B1 FLUORESCENT PROBES FOR DNA DETECTION BY HYBRIDIZATION WITH IMPROVED SENSITIVITY AND LOW BACKGROUND EPOCH BIOSCIENCES INC (US) 2014-12-10 EP disclosed
US-8664407-B2 Chemical linkers with single amino acids and conjugates thereof Medarex, LLC (US) 2014-03-04 US disclosed
US-8664407-B2 Chemical linkers with single amino acids and conjugates thereof Medarex, LLC (US) 2014-03-04 US disclosed
US-8664407-B2 Chemical linkers with single amino acids and conjugates thereof Medarex, LLC (US) 2014-03-04 US disclosed
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-8461117-B2 Chemical linkers and cleavable substrates and conjugates thereof MEDAREX, INC. (US) 2013-06-11 US disclosed
US-8461117-B2 Chemical linkers and cleavable substrates and conjugates thereof MEDAREX, INC. (US) 2013-06-11 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-20020034754-A1 Fluorescent quenching detection reagents and methods ELITECHGROUP, INC. 2002-03-21 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-6143877-A FORMING A TRIPLEX BY CONTACTING DUPLEX NUCLEIC ACID HAVING A TARGET SEQUENCE OF PURINE BASES WITH A OLIGONUCLEOTIDE HAVING AT LEAST ONE GUANINE BASE REPLACED BY 6-AMINO-1H-PYRAZOLO(3,4-D)PYRIMIDIN-4(5H)-ONE EPOCH PHARMACEUTICALS, INC. (US) 2000-11-07 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
EP-0819133-A2 COVALENTLY LINKED OLIGONUCLEOTIDE MINOR GROOVE BINDER CONJUGATES EPOCH PHARMACEUTICALS, INC. (US) 1998-01-21 EP disclosed
WO-1996032496-A2 COVALENTLY LINKED OLIGONUCLEOTIDE MINOR GROOVE BINDER CONJUGATES MICROPROBE CORPORATION (US) 1996-10-17 WO 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 (2 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 DHODH 2763/4885GPR119 2142/4885UCHL1 2947/4885
US-20020034754-A1 Fluorescent quenching detection reagents and methods DDX5, DDX21, DCLRE1B DHODH 1111/4885GPR119 4229/4885UCHL1 2760/4885

“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.