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Sugi Predict / Compounds / SCHEMBL2997032

SCHEMBL2997032

SCHEMBL2997032

CCCN(CCC)P(OCCC#N)O[C@@H]1C[C@@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)N(C(=O)O)C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC6A11 P48066 7/20 0.37
▸ SLC6A1 P30531 3/20 0.37
▸ SLC6A12 P48065 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SLC6A13 Q9NSD5 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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 0.90 SLC6A11 (0.37) SLC6A11SLC6A1SLC6A12CYP1A2CYP3A4
SCHEMBL21662396 0.84 SLC6A11 (0.36) SLC6A11SLC6A1SLC6A12CYP1A2CYP3A4
SCHEMBL26302696 0.83 SLC6A11 (0.33) SLC6A11SLC6A1SLC6A12CYP1A2CYP3A4
SCHEMBL16299839 0.80 SLC6A11 (0.35) SLC6A11SLC6A1SLC6A12CYP1A2CYP3A4
SCHEMBL11992564 0.80 SLC6A1 (0.33) SLC6A11SLC6A1
SCHEMBL16938709 0.79 SLC6A1 (0.32) SLC6A11SLC6A1ALDH1A1
SCHEMBL4358633 0.79 APP (0.31) —
SCHEMBL11992573 0.78 SLC6A11 (0.34) SLC6A11SLC6A1SLC6A12CYP1A2CYP3A4
SCHEMBL4013956 0.78 APP (0.31) —
SCHEMBL12209383 0.76 ALDH1A1 (0.34) SLC6A11SLC6A1CYP1A2CYP3A4MEN1

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 16 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-6653473-B2 Nucleotide sequences for use as diagnostic tool in genetic analysis EPOCH BIOSCIENCES, INC. 2003-11-25 — — 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 SLC6A11 2202/4885SLC6A1 2029/4885SLC6A12 2656/4885
US-20020034754-A1 Fluorescent quenching detection reagents and methods DDX5, DDX21, DCLRE1B SLC6A11 2202/4885SLC6A1 2029/4885SLC6A12 2656/4885
US-20100174058-A1 FLUORESCENT QUENCHING DETECTING REAGENTS AND METHODS DDX5, DDX21, DCLRE1B SLC6A11 2414/4885SLC6A1 2173/4885SLC6A12 2905/4885
US-20040081959-A9 Using oligonucleotide detectors; hybridization analyzing DCLRE1B, DDX21, DDX41 SLC6A11 3908/4885SLC6A1 4081/4885SLC6A12 4564/4885
US-20060292589-A1 Oligonucleotide probes containing two labels useful in hybridization assays DCLRE1B, DDX21, DCLRE1A SLC6A11 4000/4885SLC6A1 4221/4885SLC6A12 4472/4885
US-20040191796-A1 Fluorescent quenching detection reagents and methods DDX5, IPO4, DBF4 SLC6A11 3949/4885SLC6A1 3788/4885SLC6A12 3400/4885
US-20030096254-A1 Enhancing resonance ability of oligonuclotide probes for use in hybridization assays; gene expression DCLRE1B, SNRPE, ZFR SLC6A11 2874/4885SLC6A1 2661/4885SLC6A12 2988/4885

“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.