SCHEMBL22735643

SCHEMBL22735643

O=C1CCCc2cc(S(=O)(=O)N3CCC(C(=O)NCCc4ccccn4)CC3)ccc2N1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
TSHR P16473 3/20 0.64
GAA P10253 2/20 0.64
ALOX15 P16050 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
GFER P55789 1/20 0.61
TP53 P04637 2/20 0.59
LMNA P02545 1/20 0.59
HTT P42858 1/20 0.59
CRHBP P24387 1/20 0.58
CRHR2 Q13324 1/20 0.58
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
THRB P10828 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
SCHEMBL22735789 0.92 THRB (0.62) ALDH1A1TSHRGAAALOX15SMN1; SMN2
SCHEMBL22735638 0.92 ALDH1A1 (0.67) ALDH1A1TSHRGAAALOX15SMN1; SMN2
SCHEMBL22735899 0.87 LMNA (0.51) ALDH1A1TSHRGAAALOX15SMN1; SMN2
SCHEMBL22734393 0.84 LMNA (0.68) ALDH1A1SMN1; SMN2TP53LMNAMEN1
SCHEMBL22734475 0.84 THRB (0.68) ALDH1A1GAAGFERTP53LMNA
SCHEMBL22735657 0.83 ALDH1A1 (0.65) ALDH1A1TSHRGAAALOX15GFER
SCHEMBL22735902 0.81 GFER (0.78) ALDH1A1TSHRGAAALOX15GFER
SCHEMBL22734792 0.80 GFER (0.71) ALDH1A1TSHRGAAGFERTP53
SCHEMBL22734478 0.78 GFER (0.68) ALDH1A1TSHRGAAALOX15GFER
SCHEMBL22735620 0.77 TP53 (0.69) ALDH1A1TSHRGAAALOX15GFER

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 ALDH1A1 3166/4885TSHR 2080/4885GAA 3924/4885
US-11180510-B2 Xanthine derivatives and uses thereof as inhibitors of bromodomains of BET proteins BET1, BRD4, BRD3 ALDH1A1 3084/4885TSHR 1980/4885GAA 4050/4885

“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.