SCHEMBL2264016

SCHEMBL2264016

CS(=O)(=O)OC1CN(c2ccc3nnc(C(F)(F)F)n3n2)C1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
ALOX15 P16050 1/20 0.53
MAPT P10636 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
XBP1 P17861 1/20 0.51
TP53 P04637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
AR P10275 8/20 0.46
KCNH2 Q12809 6/20 0.46
DPP4 P27487 2/20 0.43
DPP9 Q86TI2 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
BRD4 O60885 4/20 0.42

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
SCHEMBL2264424 0.80 HTT (0.66) HTTTDP1ALOX15MAPTALDH1A1
SCHEMBL2266699 0.79 HTT (0.55) HTTTDP1ALOX15MAPTALDH1A1
SCHEMBL2265007 0.78 HTT (0.54) HTTTDP1ALOX15MAPTALDH1A1
SCHEMBL12368235 0.78 MAPT (0.61) HTTTDP1ALOX15MAPTALDH1A1
SCHEMBL2266683 0.77 HTT (0.53) HTTTDP1ALOX15MAPTALDH1A1
SCHEMBL2266938 0.77 HTT (0.56) HTTTDP1ALOX15MAPTALDH1A1
SCHEMBL12368237 0.77 HTT (0.61) HTTTDP1ALOX15MAPTALDH1A1
SCHEMBL2268451 0.75 HTT (0.63) HTTTDP1ALOX15MAPTALDH1A1
SCHEMBL12368230 0.75 HPGD (0.58) HTTTDP1ALOX15MAPTALDH1A1
SCHEMBL2264944 0.74 HTT (0.61) HTTTDP1ALOX15MAPTALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003649-B2 Bicyclic derivatives for use in the treatment of androgen receptor associated conditions-155 ASTRAZENECA AB (SE) 2011-08-23 US disclosed
EP-2235010-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS AstraZeneca AB (SE) 2010-10-06 EP disclosed
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 ASTRAZENECA AB (SE) 2010-01-21 US disclosed
WO-2009081197-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS ASTRAZENECA AB (SE) 2009-07-02 WO 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 (1 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-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 AR, NR5A1, CYP17A1 HTT 3680/4885TDP1 3462/4885ALOX15 1895/4885

“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.