SCHEMBL436802

SCHEMBL436802

Cc1ccc(S(=O)(=O)CC(COCCC(=O)NO)(COCCC(=O)NO)COCCC(=O)NO)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 1/20 0.46
MMP1 P03956 6/20 0.45
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
APEX1 P27695 1/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL439206 0.86 ALDH1A1 (0.47) KMT2AALDH1A1MEN1POLB
SCHEMBL437768 0.80 ALDH1A1 (0.44) KMT2AALDH1A1MEN1MMP1MMP2
SCHEMBL436790 0.79 ALDH1A1 (0.44) KMT2AALDH1A1MEN1MMP1MMP2
SCHEMBL439156 0.78 ALDH1A1 (0.45) KMT2AALDH1A1MEN1MMP1MMP2
SCHEMBL13656814 0.76 KMT2A (0.41) KMT2AALDH1A1MEN1MMP1MMP2
SCHEMBL439967 0.75 HDAC1 (0.48) KMT2AALDH1A1HDAC3HDAC4HDAC1
SCHEMBL437811 0.75 ALDH1A1 (0.40) KMT2AALDH1A1MEN1MMP1MMP2
SCHEMBL12723205 0.72 ALDH1A1 (0.48) KMT2AALDH1A1MEN1MMP1MMP2
SCHEMBL437829 0.72 ALDH1A1 (0.54) KMT2AALDH1A1MEN1MMP1MMP2
SCHEMBL4741612 0.72 ALDH1A1 (0.68) KMT2AALDH1A1MEN1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139456-B2 Chelating compounds and immobilized tethered chelators THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2015-09-22 US disclosed
US-20120061325-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS THE CURATORS OF THE UNIVERSITY OF MISSOURI 2012-03-15 US disclosed
US-8066883-B2 Removing aluminum from solution using chelating compounds and immobilized tethered chelators UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2011-11-29 US disclosed
US-20110168636-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS THE CURATORS OF THE UNIVERSITY OF MISSOURI 2011-07-14 US disclosed
US-7932326-B2 Chelating compounds and immobilized tethered chelators THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2011-04-26 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 (1 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-20120061325-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS BTD, TTPA, SLC39A7 KMT2A 409/4885ALDH1A1 3904/4885MEN1 2073/4885

“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.