SCHEMBL469086

SCHEMBL469086

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 4/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 2/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
LMNA P02545 2/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
MAPT P10636 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
SCHEMBL439736 0.88 ALDH1A1 (0.45) ALDH1A1KMT2ARAB9AMEN1CA1
SCHEMBL436790 0.87 ALDH1A1 (0.44) ALDH1A1KMT2ARAB9AMEN1CA1
SCHEMBL10107164 0.80 ALDH1A1 (0.47) ALDH1A1L3MBTL1KMT2ARAB9AMEN1
SCHEMBL12759214 0.79 ALDH1A1 (0.43) ALDH1A1CA1CA2LMNASMN1; SMN2
SCHEMBL439090 0.76 CYP2C9 (0.45) ALDH1A1KMT2ARAB9AMEN1CA1
SCHEMBL437768 0.75 ALDH1A1 (0.44) ALDH1A1KMT2ARAB9AMEN1CA1
SCHEMBL439133 0.74 ALDH1A1 (0.46) ALDH1A1KMT2ARAB9AMEN1LMNA
SCHEMBL12140923 0.74 IDO1 (0.43) ALDH1A1L3MBTL1KMT2ARAB9AMEN1
SCHEMBL12169331 0.74 ALDH1A1 (0.55) ALDH1A1L3MBTL1KMT2ARAB9AMEN1
SCHEMBL10107134 0.73 CYP2C9 (0.43) ALDH1A1KMT2ARAB9AMEN1MAPT

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 2016/4885KMT2A 409/4885

“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.