SCHEMBL3567690

SCHEMBL3567690

CC(C)(C)OC[C@H]1O[C@](n2ccc(=O)[nH]c2=O)([SiH](c2ccccc2)c2ccccc2)C[C@@H]1O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 8/20 0.35
DUT P33316 7/20 0.34
P2RY14 Q15391 1/20 0.32
P2RY2 P41231 3/20 0.32
P2RY4 P51582 2/20 0.32
NT5E P21589 1/20 0.32

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
SCHEMBL3577226 0.89 DUT (0.31) P2RY6DUT
SCHEMBL6244002 0.85 TK1 (0.36)
SCHEMBL10645179 0.83 TYMS (0.31)
SCHEMBL10642960 0.83
SCHEMBL5960168 0.78 P2RY14 (0.33) P2RY6DUTP2RY14P2RY2P2RY4
SCHEMBL7511946 0.77
SCHEMBL8205228 0.76 DUT (0.32) P2RY6DUTP2RY14P2RY2P2RY4
SCHEMBL7201619 0.74 P2RY14 (0.31) P2RY14
SCHEMBL7922853 0.74 TK2 (0.34)
SCHEMBL8176133 0.73 TK2 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100075924-A1 DUTPASE INHIBITORS MEDIVIR AB (SE) 2010-03-25 US disclosed
US-7601702-B2 Dutpase Inhibitors MEDIVIR AB (SE) 2009-10-13 US disclosed
US-20080300216-A1 Dutpase Inhibitors MEDIVIR AB (SE) 2008-12-04 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-20080300216-A1 Dutpase Inhibitors DUT, DHODH, POLR2H P2RY6 2832/4885DUT 1/4885P2RY14 3517/4885
US-20100075924-A1 DUTPASE INHIBITORS DUT, DHODH, CCNO P2RY6 2755/4885DUT 1/4885P2RY14 3454/4885

“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.