SCHEMBL439967

SCHEMBL439967

Cc1ccc(S(=O)(=O)NC(COCCCCC(=O)NO)(COCCCCC(=O)NO)COCCC(=O)NO)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.48
HDAC3 O15379 8/20 0.48
HDAC2 Q92769 8/20 0.48
HDAC8 Q9BY41 8/20 0.48
HDAC6 Q9UBN7 8/20 0.48
HDAC10 Q969S8 5/20 0.48
HDAC11 Q96DB2 5/20 0.48
HDAC4 P56524 4/20 0.48
HDAC7 Q8WUI4 4/20 0.48
HDAC9 Q9UKV0 4/20 0.48
HDAC5 Q9UQL6 4/20 0.48
ALDH1A1 P00352 6/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
NCOR2 Q9Y618 1/20 0.43
LMNA P02545 2/20 0.42
PKM P14618 1/20 0.41
MAPT P10636 2/20 0.41
PTGS2 P35354 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
SCHEMBL439095 0.98 HDAC1 (0.50) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL12723205 0.94 ALDH1A1 (0.48) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL437768 0.94 ALDH1A1 (0.44) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL439156 0.92 ALDH1A1 (0.45) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL13656814 0.90 KMT2A (0.41) HDAC1ALDH1A1RAB9AKMT2ALMNA
SCHEMBL437811 0.89 ALDH1A1 (0.40) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL437779 0.85 ALDH1A1 (0.43) ALDH1A1RAB9AKMT2APKMMAPT
SCHEMBL437775 0.85 ALDH1A1 (0.45) ALDH1A1RAB9AKMT2APKMMAPT
SCHEMBL436790 0.83 ALDH1A1 (0.44) HDAC1ALDH1A1RAB9AKMT2APKM
SCHEMBL12723337 0.81 MAPT (0.42) ALDH1A1RAB9AKMT2APKMMAPT

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 6 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-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-20090261043-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS THE CURATORS OF THE UNIVERSITY OF MISSOURI 2009-10-22 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 (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-20120061325-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS BTD, TTPA, SLC39A7 HDAC1 531/4885HDAC3 792/4885HDAC2 905/4885
US-20090261043-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS BTD, SLC30A7, SLC39A7 HDAC1 991/4885HDAC3 1462/4885HDAC2 1845/4885

“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.