SCHEMBL437779

SCHEMBL437779

COC(=O)CCCCOCC(COCCCCC(=O)OC)(COCCC(=O)OC)NS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
KMT2A Q03164 4/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 2/20 0.39
HSD17B10 Q99714 1/20 0.39
TCF4 P15884 1/20 0.39
CTNNB1 P35222 1/20 0.39
HTT P42858 1/20 0.39
TBXA2R P21731 1/20 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
SCHEMBL437775 0.98 ALDH1A1 (0.45) ALDH1A1KMT2ARAB9AMAPTCYP2C9
SCHEMBL12723337 0.96 MAPT (0.42) ALDH1A1KMT2ARAB9AMAPTCYP2C9
SCHEMBL10106985 0.94 MAPT (0.44) ALDH1A1KMT2ARAB9AMAPTCYP2C9
SCHEMBL439090 0.94 CYP2C9 (0.45) ALDH1A1KMT2ARAB9AMAPTCYP2C9
SCHEMBL439133 0.92 ALDH1A1 (0.46) ALDH1A1KMT2ARAB9AMAPTCYP2C9
SCHEMBL12759057 0.90 ALDH1A1 (0.39) ALDH1A1KMT2ARAB9AMAPTCYP2C9
SCHEMBL439172 0.88 CYP2C9 (0.41) ALDH1A1KMT2ARAB9AMAPTCYP2C9
SCHEMBL10107134 0.88 CYP2C9 (0.43) ALDH1A1KMT2ARAB9AMAPTCYP2C9
SCHEMBL469020 0.87 ALDH1A1 (0.44) ALDH1A1KMT2ARAB9AMAPTCYP2C9
SCHEMBL439967 0.85 HDAC1 (0.48) ALDH1A1KMT2ARAB9AMAPTPKM

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-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
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.