SCHEMBL2997039

SCHEMBL2997039

COc1ccc(-c2cccc(COC[C@@H]3C[C@@H](OP(OCCC#N)N(C(C)C)C(C)C)CN3C(=O)O)c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
GRIA2 P42262 1/20 0.30
GRIA4 P48058 1/20 0.30

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
SCHEMBL2997021 0.80 SLC6A11 (0.37)
SCHEMBL4013958 0.78
SCHEMBL3088925 0.76 FFAR1 (0.37) PDCD1CD274GRIA2GRIA4
SCHEMBL21662396 0.75 SLC6A11 (0.36)
SCHEMBL11992573 0.73 SLC6A11 (0.34)
SCHEMBL16299839 0.72 SLC6A11 (0.35)
SCHEMBL16938709 0.72 SLC6A1 (0.32)
SCHEMBL9908649 0.72 SLC6A1 (0.32)
SCHEMBL11992545 0.71 ALDH1A1 (0.34)
SCHEMBL12209383 0.71 ALDH1A1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1430147-B1 FLUORESCENT QUENCHING DETECTION REAGENTS AND METHODS EPOCH BIOSCIENCES INC (US) 2013-05-22 EP disclosed
US-20100174058-A1 FLUORESCENT QUENCHING DETECTING REAGENTS AND METHODS ELITECHGROUP, INC. 2010-07-08 US disclosed
US-7662942-B2 Oligonucleotide probes containing two labels useful in hybridization assays Elitech Holdings, B.V. (NL) 2010-02-16 US disclosed
EP-1430147-A4 FLUORESCENT QUENCHING DETECTION REAGENTS AND METHODS EPOCH BIOSCIENCES INC (US) 2008-06-25 EP disclosed
US-20060292589-A1 Oligonucleotide probes containing two labels useful in hybridization assays EPOCH BIOSCIENCES, INC. (US) 2006-12-28 US disclosed
US-20040191796-A1 Fluorescent quenching detection reagents and methods EPOCH PHARMACEUTICALS, INC. (US) 2004-09-30 US disclosed
US-6790945-B2 OLIGONUCLEOTIDE PROBES CONTAINING TWO LABELS USEFUL IN HYBRIDIZATION ASSAYS EPOCH BIOSCIENCES, INC. 2004-09-14 US disclosed
EP-1430147-A1 FLUORESCENT QUENCHING DETECTION REAGENTS AND METHODS Epoch Biosciences, Inc. (US) 2004-06-23 EP disclosed
WO-2002099141-A9 FLUORESCENT QUENCHING DETECTION REAGENTS AND METHODS EPOCH BIOSCIENCES INC (US) 2004-05-27 WO disclosed
US-20040081959-A9 Using oligonucleotide detectors; hybridization analyzing EPOCH BIOSCIENCES, INC. (US) 2004-04-29 US disclosed
US-6727356-B1 AS PROBES SUCH AS FOR FLUORESCENCE RESONANCE ENERGY TRANSFER; QUENCHER INCLUDES A 4-(PHENYLDIAZENYL)PHENYLAMINE STRUCTURE; IMPROVED SIGNAL TO NOISE RATIO AND HYBRIDIZATION EPOCH PHARMACEUTICALS, INC. 2004-04-27 US disclosed
US-20030096254-A1 Enhancing resonance ability of oligonuclotide probes for use in hybridization assays; gene expression EPOCH BIOSCIENCES, INC. (US) 2003-05-22 US disclosed
US-20030008304-A1 Fluorescent quenching detection reagents and methods EPOCH BIOSCIENCES, INC. (US) 2003-01-09 US disclosed
WO-2002099141-A1 FLUORESCENT QUENCHING DETECTION REAGENTS AND METHODS EPOCH BIOSCIENCES, INC. (US) 2002-12-12 WO disclosed
US-20020034754-A1 Fluorescent quenching detection reagents and methods ELITECHGROUP, INC. 2002-03-21 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 (7 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-20030008304-A1 Fluorescent quenching detection reagents and methods DDX5, DDX21, DCLRE1B PDCD1 4687/4885CD274 4698/4885GRIA2 1882/4885
US-20020034754-A1 Fluorescent quenching detection reagents and methods DDX5, DDX21, DCLRE1B PDCD1 4687/4885CD274 4698/4885GRIA2 1882/4885
US-20100174058-A1 FLUORESCENT QUENCHING DETECTING REAGENTS AND METHODS DDX5, DDX21, DCLRE1B PDCD1 4567/4885CD274 4645/4885GRIA2 2137/4885
US-20040081959-A9 Using oligonucleotide detectors; hybridization analyzing DCLRE1B, DDX21, DDX41 PDCD1 3265/4885CD274 2591/4885GRIA2 1482/4885
US-20060292589-A1 Oligonucleotide probes containing two labels useful in hybridization assays DCLRE1B, DDX21, DCLRE1A PDCD1 3862/4885CD274 3241/4885GRIA2 1989/4885
US-20040191796-A1 Fluorescent quenching detection reagents and methods DDX5, IPO4, DBF4 PDCD1 2272/4885CD274 2145/4885GRIA2 2789/4885
US-20030096254-A1 Enhancing resonance ability of oligonuclotide probes for use in hybridization assays; gene expression DCLRE1B, SNRPE, ZFR PDCD1 4624/4885CD274 4634/4885GRIA2 461/4885

“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.