SCHEMBL22104666

SCHEMBL22104666

CC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc21

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.71
OGG1 O15527 4/20 0.69
LMNA P02545 4/20 0.67
TP53 P04637 1/20 0.66
NR3C1 P04150 1/20 0.60
MAPT P10636 1/20 0.60
PKM P14618 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
USP2 O75604 1/20 0.59
GAA P10253 1/20 0.59
TSHR P16473 1/20 0.59
HTT P42858 1/20 0.59
NLRP3 Q96P20 2/20 0.57
ALDH1A1 P00352 2/20 0.56
POLB P06746 1/20 0.53
TRIM24 O15164 2/20 0.53
KDM4E B2RXH2 1/20 0.52

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
SCHEMBL22104944 0.87 TDP1 (0.80) TDP1OGG1LMNATP53MAPT
SCHEMBL22104943 0.86 TP53 (0.78) TDP1OGG1LMNATP53NR3C1
SCHEMBL22104671 0.84 OGG1 (0.72) TDP1OGG1LMNATP53NR3C1
SCHEMBL22104668 0.84 OGG1 (0.80) TDP1OGG1LMNATP53NR3C1
SCHEMBL22104638 0.82 OGG1 (1.00) TDP1OGG1LMNATP53MAPT
SCHEMBL10241674 0.81 NOTUM (0.66) TDP1LMNATP53PKMSMN1; SMN2
SCHEMBL22104670 0.80 LMNA (0.84) TDP1OGG1LMNATP53NR3C1
SCHEMBL22104674 0.80 ALDH1A1 (0.82) TDP1OGG1LMNATP53MAPT
SCHEMBL22104676 0.80 ALDH1A1 (0.72) TDP1OGG1LMNATP53PKM
SCHEMBL29817571 0.78 RORC (0.79) LMNATP53MAPTNLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200190034-A1 Inhibitors of Base Excision Repair Activity and Therapeutic Methods Based Thereon THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2020-06-18 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-20200190034-A1 Inhibitors of Base Excision Repair Activity and Therapeutic Methods Based Thereon OGG1, UNG, MPG TDP1 19/4885OGG1 1/4885LMNA 2093/4885

“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.