SCHEMBL3583641

SCHEMBL3583641

N[C@H]1C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DUT P33316 8/20 0.55
TYMP P19971 2/20 0.45
HSP90AA1 P07900 1/20 0.40
P2RY6 Q15077 3/20 0.39
P2RY2 P41231 4/20 0.38
P2RY4 P51582 2/20 0.38
P2RY12 Q9H244 1/20 0.36
TYMS P04818 1/20 0.36
SLC28A1 O00337 1/20 0.36
SLC28A2 O43868 1/20 0.36
SLC29A1 Q99808 1/20 0.36
SLC28A3 Q9HAS3 1/20 0.36
P2RY14 Q15391 1/20 0.36
NT5E P21589 1/20 0.36

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
SCHEMBL13444859 1.00 DUT (0.55) DUTTYMPHSP90AA1P2RY6P2RY2
SCHEMBL3583645 1.00 DUT (0.55) DUTTYMPHSP90AA1P2RY6P2RY2
SCHEMBL13444847 0.88 DUT (0.57) DUTTYMPHSP90AA1P2RY6P2RY2
SCHEMBL4422700 0.88 DUT (0.68) DUTTYMPP2RY6P2RY2P2RY4
SCHEMBL3571173 0.88 DUT (0.57) DUTTYMPHSP90AA1P2RY6P2RY2
SCHEMBL6330037 0.88 DUT (0.55) DUTTYMPHSP90AA1P2RY6P2RY2
SCHEMBL3576747 0.88 DUT (0.68) DUTTYMPP2RY6P2RY2P2RY4
SCHEMBL3576744 0.88 DUT (0.68) DUTTYMPP2RY6P2RY2P2RY4
SCHEMBL3492644 0.88 DUT (0.68) DUTTYMPP2RY6P2RY2P2RY4
SCHEMBL10446525 0.88 DUT (0.68) DUTTYMPP2RY6P2RY2P2RY4

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 5 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
EP-1701952-A1 DUTPASE INHIBITORS Medivir Aktiebolag (SE) 2006-09-20 EP disclosed
WO-2005066160-A1 DUTPASE INHIBITORS MEDIVIR AB (SE) 2005-07-21 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 (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 DUT 1/4885TYMP 32/4885HSP90AA1 4778/4885
US-20100075924-A1 DUTPASE INHIBITORS DUT, DHODH, CCNO DUT 1/4885TYMP 39/4885HSP90AA1 4799/4885

“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.