SCHEMBL10107162

SCHEMBL10107162

Cc1ccc(S(=O)(=O)NC(CCCOCC=O)(CCCOCC=O)CCCOCC=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
L3MBTL1 Q9Y468 1/20 0.39
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37

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
SCHEMBL10107161 0.95 ALDH1A1 (0.45) ALDH1A1L3MBTL1KEAP1NFE2L2GAA
SCHEMBL10106993 0.81 ALDH1A1 (0.42) ALDH1A1L3MBTL1KEAP1NFE2L2GAA
SCHEMBL12759065 0.79 ALDH1A1 (0.44) ALDH1A1L3MBTL1GAASMN1; SMN2HPGD
SCHEMBL10107418 0.78 ALDH1A1 (0.43) ALDH1A1L3MBTL1GAASMN1; SMN2HPGD
SCHEMBL17089351 0.78 ALDH1A1 (0.48) ALDH1A1GAASMN1; SMN2HPGDLMNA
SCHEMBL469021 0.74 ALDH1A1 (0.46) ALDH1A1GAASMN1; SMN2HPGDLMNA
SCHEMBL12759066 0.74 PLA2G2C (0.42) ALDH1A1L3MBTL1GAAHPGDLMNA
SCHEMBL10107011 0.74 ALDH1A1 (0.40) ALDH1A1L3MBTL1GAASMN1; SMN2HPGD
SCHEMBL469016 0.74 ALDH1A1 (0.48) ALDH1A1L3MBTL1GAASMN1; SMN2HPGD
SCHEMBL21690790 0.72 DUT (0.49) ALDH1A1L3MBTL1HPGDLMNAHTT

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 2 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

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 ALDH1A1 3904/4885L3MBTL1 2016/4885KEAP1 1222/4885

“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.