SCHEMBL22734792

SCHEMBL22734792

O=C1CCCc2cc(S(=O)(=O)N3CCC(C(=O)NCc4cccnc4)CC3)ccc2N1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.71
TSHR P16473 2/20 0.65
ALDH1A1 P00352 2/20 0.64
GAA P10253 1/20 0.64
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
KMT2A Q03164 2/20 0.62
TDP1 Q9NUW8 1/20 0.62
NPC1 O15118 2/20 0.61
POLB P06746 1/20 0.61
TP53 P04637 2/20 0.60
LMNA P02545 1/20 0.60
THRB P10828 1/20 0.60

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
SCHEMBL22734709 0.92 THRB (0.72) GFERALDH1A1CYP2C9CYP2C19KMT2A
SCHEMBL22735902 0.90 GFER (0.78) GFERTSHRALDH1A1GAAKMT2A
SCHEMBL22735638 0.85 ALDH1A1 (0.67) GFERTSHRALDH1A1GAAKMT2A
SCHEMBL22735653 0.84 TP53 (0.73) GFERALDH1A1POLBTP53LMNA
SCHEMBL22734478 0.82 GFER (0.68) GFERTSHRALDH1A1GAATP53
SCHEMBL22735639 0.82 THRB (0.78) GFERALDH1A1KMT2ATDP1NPC1
SCHEMBL22735643 0.80 ALDH1A1 (0.64) GFERTSHRALDH1A1GAAKMT2A
SCHEMBL22735620 0.78 TP53 (0.69) GFERTSHRALDH1A1GAAKMT2A
SCHEMBL22735657 0.77 ALDH1A1 (0.65) GFERTSHRALDH1A1GAAKMT2A
SCHEMBL20258826 0.77 TSHR (0.79) TSHRALDH1A1CYP3A4CYP2D6CYP2C9

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 GFER 3697/4885TSHR 2080/4885ALDH1A1 3166/4885
US-11180510-B2 Xanthine derivatives and uses thereof as inhibitors of bromodomains of BET proteins BET1, BRD4, BRD3 GFER 3553/4885TSHR 1980/4885ALDH1A1 3084/4885

“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.