SCHEMBL1673086

SCHEMBL1673086

O=C(O)CCCCCNc1cc(S(=O)(=O)O)c2ccc3c(S(=O)(=O)O)cc(S(=O)(=O)O)c4ccc1c2c43

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.43
CDC25B P30305 1/20 0.43
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPT P10636 1/20 0.43
TBXA2R P21731 1/20 0.43
NR4A2 P43354 1/20 0.41
FABP4 P15090 5/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39

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
SCHEMBL4886217 0.82 CDC25A (0.41) CDC25ACDC25BALDH1A1MEN1KMT2A
SCHEMBL22502968 0.81 NQO2 (0.32)
SCHEMBL17812420 0.78 HDAC3 (0.33) ALDH1A1MAPTKDM4EHSD17B10
SCHEMBL20468810 0.78 NQO2 (0.35) ALDH1A1MAPTCA12CA1CA2
SCHEMBL22562309 0.78 GRIN1 (0.32) ALDH1A1MAPTKDM4ELMNAHSD17B10
SCHEMBL1672444 0.77 ALB (0.40) ALDH1A1TBXA2RFABP4
SCHEMBL17812419 0.76 HDAC3 (0.32)
SCHEMBL17119894 0.71 KMT2A (0.57) CDC25ACDC25BALDH1A1MEN1KMT2A
SCHEMBL12733301 0.71 KAT2B (0.37) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL1502343 0.70 CYP1A2 (0.43) ALDH1A1MEN1KMT2ATDP1MAPT

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
EP-3227264-B1 HYDRAZINYL AND AMINOOXY COMPOUNDS AND THEIR METHODS OF USE LIFE TECHNOLOGIES CORP (US) 2020-10-21 EP disclosed
EP-3227264-B1 HYDRAZINYL AND AMINOOXY COMPOUNDS AND THEIR METHODS OF USE LIFE TECHNOLOGIES CORP (US) 2020-10-21 EP disclosed
US-10793518-B2 Hydrazinyl and aminooxy compounds and their methods of use Life Technologies Corporation (US) 2020-10-06 US disclosed
US-10793518-B2 Hydrazinyl and aminooxy compounds and their methods of use Life Technologies Corporation (US) 2020-10-06 US disclosed
US-10246410-B2 Hydrazinyl and aminooxy compounds and their methods of use Life Technologies Corporation (US) 2019-04-02 US disclosed
US-10246410-B2 Hydrazinyl and aminooxy compounds and their methods of use Life Technologies Corporation (US) 2019-04-02 US disclosed
US-20180222855-A1 HYDRAZINYL AND AMINOOXY COMPOUNDS AND THEIR METHODS OF USE Life Technologies Corporation 2018-08-09 US disclosed
US-20180222855-A1 HYDRAZINYL AND AMINOOXY COMPOUNDS AND THEIR METHODS OF USE Life Technologies Corporation 2018-08-09 US disclosed
US-20170369431-A1 HYDRAZINYL AND AMINOOXY COMPOUNDS AND THEIR METHODS OF USE Life Technologies Corporation 2017-12-28 US disclosed
EP-3227264-A2 HYDRAZINYL AND AMINOOXY COMPOUNDS AND THEIR METHODS OF USE Life Technologies Corporation (US) 2017-10-11 EP disclosed
WO-2016090076-A2 HYDRAZINYL AND AMINOOXY COMPOUNDS AND THEIR METHODS OF USE Life Technologies Corporation (US) 2016-06-09 WO disclosed
WO-2016090076-A2 HYDRAZINYL AND AMINOOXY COMPOUNDS AND THEIR METHODS OF USE Life Technologies Corporation (US) 2016-06-09 WO disclosed
US-8658434-B2 Fluorescent pyrene compounds BIOTIUM, INC. (US) 2014-02-25 US disclosed
US-20110097735-A1 FLUORESCENT PYRENE COMPOUNDS BIOTIUM, INC. (US) 2011-04-28 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 (5 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-10793518-B2 Hydrazinyl and aminooxy compounds and their methods of use PHYKPL, AASDHPPT, CA14 CDC25A 2882/4885CDC25B 2557/4885ALDH1A1 393/4885
US-20110097735-A1 FLUORESCENT PYRENE COMPOUNDS PAH, CYP1A1, PYCR1 CDC25A 2609/4885CDC25B 2091/4885ALDH1A1 845/4885
US-10246410-B2 Hydrazinyl and aminooxy compounds and their methods of use PHYKPL, AASDHPPT, CA14 CDC25A 2882/4885CDC25B 2557/4885ALDH1A1 393/4885
US-20170369431-A1 HYDRAZINYL AND AMINOOXY COMPOUNDS AND THEIR METHODS OF USE PHYKPL, AASDHPPT, CA14 CDC25A 2882/4885CDC25B 2557/4885ALDH1A1 393/4885
US-20180222855-A1 HYDRAZINYL AND AMINOOXY COMPOUNDS AND THEIR METHODS OF USE PHYKPL, AASDHPPT, CA14 CDC25A 2882/4885CDC25B 2557/4885ALDH1A1 393/4885

“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.