SCHEMBL22735653

SCHEMBL22735653

O=C1CCCc2cc(S(=O)(=O)NCC3CCC(C(=O)NCc4cccnc4)CC3)ccc2N1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.73
MAPT P10636 2/20 0.72
LMNA P02545 1/20 0.71
POLB P06746 2/20 0.68
ALDH1A1 P00352 3/20 0.64
PKM P14618 1/20 0.64
HTT P42858 1/20 0.62
NAMPT P43490 1/20 0.53
GFER P55789 1/20 0.51
MAPK1 P28482 1/20 0.49

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
SCHEMBL22735898 0.90 MAPT (0.78) TP53MAPTLMNAPOLBALDH1A1
SCHEMBL22734680 0.87 TP53 (0.80) TP53MAPTLMNAPOLBGFER
SCHEMBL22735650 0.85 LMNA (0.75) TP53MAPTLMNAPOLBALDH1A1
SCHEMBL22734792 0.84 GFER (0.71) TP53LMNAPOLBALDH1A1GFER
SCHEMBL22734678 0.83 LMNA (0.73) TP53MAPTLMNAPOLBALDH1A1
SCHEMBL22734483 0.82 ALDH1A1 (0.61) TP53MAPTLMNAALDH1A1PKM
SCHEMBL22734709 0.81 THRB (0.72) TP53MAPTLMNAALDH1A1GFER
SCHEMBL22735810 0.81 LMNA (0.62) TP53MAPTLMNANAMPT
SCHEMBL22734393 0.81 LMNA (0.68) TP53MAPTLMNAPOLBALDH1A1
SCHEMBL22400694 0.80 TP53 (0.70) TP53MAPTLMNAPOLBALDH1A1

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 1128/4885MAPT 1856/4885LMNA 2598/4885
US-11180510-B2 Xanthine derivatives and uses thereof as inhibitors of bromodomains of BET proteins BET1, BRD4, BRD3 TP53 1349/4885MAPT 1820/4885LMNA 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.