SCHEMBL22735902

SCHEMBL22735902

O=C1CCCc2cc(S(=O)(=O)N3CCC(C(=O)NCc4ccncc4)CC3)ccc2N1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.78
ALDH1A1 P00352 4/20 0.70
THRB P10828 1/20 0.66
GAA P10253 2/20 0.65
TP53 P04637 2/20 0.64
LMNA P02545 1/20 0.64
TSHR P16473 2/20 0.61
CRHBP P24387 1/20 0.60
CRHR2 Q13324 1/20 0.60
ALOX15 P16050 1/20 0.59
KMT2A Q03164 2/20 0.59

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
SCHEMBL22735639 0.92 THRB (0.78) GFERALDH1A1THRBTP53LMNA
SCHEMBL22734792 0.90 GFER (0.71) GFERALDH1A1THRBGAATP53
SCHEMBL22735638 0.86 ALDH1A1 (0.67) GFERALDH1A1GAATP53LMNA
SCHEMBL22734478 0.85 GFER (0.68) GFERALDH1A1THRBGAATP53
SCHEMBL22735898 0.83 MAPT (0.78) GFERALDH1A1THRBTP53LMNA
SCHEMBL22734709 0.82 THRB (0.72) GFERALDH1A1THRBTP53LMNA
SCHEMBL22735643 0.81 ALDH1A1 (0.64) GFERALDH1A1THRBGAATP53
SCHEMBL22735620 0.80 TP53 (0.69) GFERALDH1A1THRBGAATP53
SCHEMBL22735657 0.80 ALDH1A1 (0.65) GFERALDH1A1THRBGAATP53
SCHEMBL22734390 0.79 TP53 (0.70) GFERALDH1A1THRBGAATP53

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 3697/4885ALDH1A1 3166/4885THRB 1626/4885
US-11180510-B2 Xanthine derivatives and uses thereof as inhibitors of bromodomains of BET proteins BET1, BRD4, BRD3 GFER 3553/4885ALDH1A1 3084/4885THRB 1631/4885

“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.