SCHEMBL10107164

SCHEMBL10107164

Cc1ccc(S(=O)(=O)NC(C)(COCCC=O)COCCC=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.47
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 3/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL469016 0.85 ALDH1A1 (0.48) ALDH1A1GAASMN1; SMN2L3MBTL1LMNA
SCHEMBL469021 0.83 ALDH1A1 (0.46) ALDH1A1GAASMN1; SMN2LMNAHPGD
SCHEMBL12759065 0.83 ALDH1A1 (0.44) ALDH1A1GAASMN1; SMN2L3MBTL1LMNA
SCHEMBL10106997 0.82 ALDH1A1 (0.42) ALDH1A1GAASMN1; SMN2LMNAHPGD
SCHEMBL10106993 0.82 ALDH1A1 (0.42) ALDH1A1GAASMN1; SMN2L3MBTL1LMNA
SCHEMBL10107418 0.82 ALDH1A1 (0.43) ALDH1A1GAASMN1; SMN2L3MBTL1LMNA
SCHEMBL12759068 0.81 ALDH1A1 (0.44) ALDH1A1GAASMN1; SMN2LMNAHPGD
SCHEMBL12759059 0.81 ALDH1A1 (0.44) ALDH1A1GAASMN1; SMN2LMNAHPGD
SCHEMBL469086 0.80 ALDH1A1 (0.49) ALDH1A1GAASMN1; SMN2L3MBTL1LMNA
SCHEMBL439736 0.79 ALDH1A1 (0.45) ALDH1A1GAASMN1; SMN2LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 3904/4885GAA 29/4885SMN1; SMN2 2888/4885
US-20090261043-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS BTD, SLC30A7, SLC39A7 ALDH1A1 3115/4885GAA 83/4885SMN1; SMN2 3977/4885

“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.