SCHEMBL22735889

SCHEMBL22735889

COC(=O)C1CCCN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)C1

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.75
TDP1 Q9NUW8 1/20 0.73
LMNA P02545 3/20 0.70
THRB P10828 3/20 0.70
MAPT P10636 1/20 0.69
GFER P55789 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL22734390 0.89 TP53 (0.70) TP53TDP1LMNATHRBMAPT
SCHEMBL22735808 0.88 TDP1 (0.72) TP53TDP1LMNATHRBMAPT
SCHEMBL22735639 0.81 THRB (0.78) TP53TDP1LMNATHRBMAPT
SCHEMBL22734759 0.79 THRB (0.69) TP53TDP1LMNATHRBMAPT
SCHEMBL22734475 0.79 THRB (0.68) TP53TDP1LMNATHRBMAPT
SCHEMBL22735620 0.79 TP53 (0.69) TP53TDP1LMNATHRBMAPT
SCHEMBL22734709 0.78 THRB (0.72) TP53TDP1LMNATHRBMAPT
SCHEMBL22735676 0.78 THRB (0.63) TP53TDP1LMNATHRBMAPT
SCHEMBL22735789 0.77 THRB (0.62) TP53TDP1LMNATHRBMAPT
SCHEMBL22400676 0.77 MAPT (0.72) TP53LMNATHRBMAPT

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-11180510-B2 Xanthine derivatives and uses thereof as inhibitors of bromodomains of BET proteins CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-11-23 US disclosed
US-20200377522-A1 XANTHINE DERIVATIVES AND USES THEREOF AS INHIBITORS OF BROMODOMAINS OF BET PROTEINS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2020-12-03 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-20200377522-A1 XANTHINE DERIVATIVES AND USES THEREOF AS INHIBITORS OF BROMODOMAINS OF BET PROTEINS BET1, BRD4, BRD3 TP53 1128/4885TDP1 821/4885LMNA 2598/4885
US-11180510-B2 Xanthine derivatives and uses thereof as inhibitors of bromodomains of BET proteins BET1, BRD4, BRD3 TP53 1349/4885TDP1 858/4885LMNA 2781/4885

“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.