SCHEMBL439156

SCHEMBL439156

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 3/20 0.42
RAB9A P51151 1/20 0.42
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP1 P03956 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
MAPT P10636 2/20 0.40
MEP1B Q16820 1/20 0.40
GAA P10253 1/20 0.40
HDAC1 Q13547 2/20 0.40
CYP2C9 P11712 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 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
SCHEMBL437768 0.97 ALDH1A1 (0.44) ALDH1A1KMT2ARAB9AEGFRERBB2
SCHEMBL437811 0.94 ALDH1A1 (0.40) ALDH1A1KMT2ARAB9AEGFRERBB2
SCHEMBL13656814 0.93 KMT2A (0.41) ALDH1A1KMT2ARAB9AMMP2MMP9
SCHEMBL439967 0.92 HDAC1 (0.48) ALDH1A1KMT2ARAB9AMAPTHDAC1
SCHEMBL12723205 0.90 ALDH1A1 (0.48) ALDH1A1KMT2ARAB9AMMP2MMP9
SCHEMBL439095 0.89 HDAC1 (0.50) ALDH1A1KMT2ARAB9AMAPTHDAC1
SCHEMBL436790 0.86 ALDH1A1 (0.44) ALDH1A1KMT2ARAB9AEGFRERBB2
SCHEMBL439133 0.86 ALDH1A1 (0.46) ALDH1A1KMT2ARAB9AMAPTGAA
SCHEMBL439090 0.84 CYP2C9 (0.45) ALDH1A1KMT2ARAB9AMMP2MMP9
SCHEMBL469020 0.82 ALDH1A1 (0.44) ALDH1A1KMT2ARAB9AEGFRMAPT

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 7 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-7932326-B2 Chelating compounds and immobilized tethered chelators THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2011-04-26 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 ALDH1A1 3904/4885KMT2A 409/4885RAB9A 3996/4885
US-20090261043-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS BTD, SLC30A7, SLC39A7 ALDH1A1 3115/4885KMT2A 535/4885RAB9A 4060/4885

“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.