SCHEMBL4897703

SCHEMBL4897703

O=C1CN(S(=O)(=O)c2ccccc2O)c2ccccc2N1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.66
POLB P06746 2/20 0.66
MAPT P10636 1/20 0.66
HSD17B10 Q99714 2/20 0.62
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
MAPK1 P28482 1/20 0.57
TDP1 Q9NUW8 1/20 0.50
SHMT2 P34897 1/20 0.47
HTT P42858 2/20 0.45
CASP3 P42574 1/20 0.44
CASP2 P42575 1/20 0.44
KDM4E B2RXH2 1/20 0.43
EPHX2 P34913 1/20 0.43

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
SCHEMBL9489390 0.83 HSD17B10 (0.77) ALDH1A1POLBMAPTHSD17B10MEN1
SCHEMBL29562691 0.81 ALDH1A1 (0.63) ALDH1A1POLBMAPTHSD17B10MEN1
SCHEMBL9491573 0.80 ALDH1A1 (1.00) ALDH1A1POLBMAPTHSD17B10MEN1
SCHEMBL9489643 0.76 MEN1 (0.73) ALDH1A1POLBMAPTHSD17B10MEN1
SCHEMBL9491786 0.75 ALDH1A1 (0.79) ALDH1A1POLBMAPTHSD17B10MEN1
SCHEMBL30926569 0.75 MEN1 (1.00) ALDH1A1POLBMAPTHSD17B10MEN1
SCHEMBL5250030 0.75 MEN1 (1.00) ALDH1A1POLBMAPTHSD17B10MEN1
SCHEMBL9489593 0.75 ALDH1A1 (0.79) ALDH1A1POLBMAPTHSD17B10MEN1
SCHEMBL30926480 0.75 ALDH1A1 (0.79) ALDH1A1POLBMAPTHSD17B10MEN1
SCHEMBL27180096 0.75 ALDH1A1 (0.79) ALDH1A1POLBMAPTHSD17B10MEN1

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-7351709-B2 Estrogen receptor ligands WYETH (US) 2008-04-01 US disclosed
US-20060019961-A1 Estrogen receptor ligands WYETH 2006-01-26 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-20060019961-A1 Estrogen receptor ligands GPER1, ESR2, ESR1 ALDH1A1 1051/4885POLB 4581/4885MAPT 3994/4885

“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.