SCHEMBL11092157

SCHEMBL11092157

O=C(O)C(c1ccccc1)S(=O)(=O)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.64
CYP2D6 P10635 1/20 0.46
HSD11B1 P28845 1/20 0.46
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.45
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MMP1 P03956 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
ADAM17 P78536 1/20 0.42
CYP2C19 P33261 2/20 0.41
HTR6 P50406 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL7821908 0.87 SRC (0.55) SRCCYP2D6LMNAMAPK1SMN1; SMN2
SCHEMBL20582610 0.84 SRC (0.50) SRCCYP2D6HSD11B1LMNATSHR
SCHEMBL8451353 0.84 SRC (0.50) SRCCYP2D6HSD11B1LMNAMAPK1
SCHEMBL13112961 0.83 SRC (0.50) SRCCYP2D6LMNAMAPK1TSHR
SCHEMBL4801312 0.81 SRC (0.47) SRCCYP2D6HSD11B1LMNAMAPK1
SCHEMBL12891199 0.81 POLB (0.60) TSHRMMP1MMP9MMP13ALDH1A1
SCHEMBL20869602 0.78 SRC (1.00) SRCCYP2D6LMNAMAPK1CYP2C19
SCHEMBL11166146 0.78 SRC (1.00) SRCCYP2D6LMNAMAPK1CYP2C19
SCHEMBL9912818 0.78 SRC (1.00) SRCCYP2D6LMNAMAPK1CYP2C19
SCHEMBL5016643 0.77 SRC (0.96) SRCCYP2D6LMNAMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10688080-B2 Compositions, methods of use, and methods of treatment UNIVERSITY OF SOUTH FLORIDA (US) 2020-06-23 US disclosed
US-10688080-B2 Compositions, methods of use, and methods of treatment UNIVERSITY OF SOUTH FLORIDA (US) 2020-06-23 US disclosed
US-20180333390-A1 COMPOSITIONS, METHODS OF USE, AND METHODS OF TREATMENT UNIVERSITY OF SOUTH FLORIDA 2018-11-22 US disclosed
US-4490524-A BACTERICIDES TOYO JOZO KABUSHIKI KAISHA (JP) 1984-12-25 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-10688080-B2 Compositions, methods of use, and methods of treatment LIPA, LCT, GAA SRC 3040/4885CYP2D6 607/4885HSD11B1 1059/4885
US-20180333390-A1 COMPOSITIONS, METHODS OF USE, AND METHODS OF TREATMENT LIPA, LCT, GAA SRC 3040/4885CYP2D6 607/4885HSD11B1 1059/4885

“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.