SCHEMBL10106993

SCHEMBL10106993

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
LMNA P02545 3/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
CA12 O43570 1/20 0.35

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 0.94 ALDH1A1 (0.48) ALDH1A1GAASMN1; SMN2LMNACYP2C9
SCHEMBL10106997 0.90 ALDH1A1 (0.42) ALDH1A1GAASMN1; SMN2LMNACYP2C9
SCHEMBL12759059 0.89 ALDH1A1 (0.44) ALDH1A1GAASMN1; SMN2LMNACYP2C9
SCHEMBL12759068 0.89 ALDH1A1 (0.44) ALDH1A1GAASMN1; SMN2LMNACYP2C9
SCHEMBL469021 0.86 ALDH1A1 (0.46) ALDH1A1GAASMN1; SMN2LMNACYP2C9
SCHEMBL12759065 0.86 ALDH1A1 (0.44) ALDH1A1GAASMN1; SMN2LMNACYP2C9
SCHEMBL10107418 0.85 ALDH1A1 (0.43) ALDH1A1GAASMN1; SMN2LMNACYP2C9
SCHEMBL10107164 0.82 ALDH1A1 (0.47) ALDH1A1GAASMN1; SMN2LMNAHPGD
SCHEMBL10107162 0.81 ALDH1A1 (0.44) ALDH1A1GAASMN1; SMN2KEAP1NFE2L2
SCHEMBL12759066 0.81 PLA2G2C (0.42) ALDH1A1GAALMNACYP2C9HPGD

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-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-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.