SCHEMBL3568613

SCHEMBL3568613

COC1(OC)C=CC(C(OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)C[C@@H]2O)(c2ccccc2)c2ccccc2)=CC1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DUT P33316 4/20 0.53
TYMP P19971 1/20 0.45
TYMS P04818 5/20 0.39
P2RY2 P41231 2/20 0.38
P2RY4 P51582 2/20 0.38
P2RY6 Q15077 1/20 0.38

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
SCHEMBL741984 0.88 POLB (0.47) TYMP
SCHEMBL780047 0.87 TK1 (0.49) TYMPTYMS
SCHEMBL28868728 0.87 P2RY2 (0.47) DUTTYMPP2RY2P2RY4P2RY6
SCHEMBL780058 0.86 TYMP (0.44) TYMPTYMS
SCHEMBL25414279 0.85 TYMS (0.44) TYMPTYMS
SCHEMBL780214 0.85 TYMP (0.43) TYMPTYMS
SCHEMBL3576744 0.84 DUT (0.68) DUTTYMPTYMSP2RY2P2RY4
SCHEMBL3492644 0.84 DUT (0.68) DUTTYMPTYMSP2RY2P2RY4
SCHEMBL10446525 0.84 DUT (0.68) DUTTYMPTYMSP2RY2P2RY4
SCHEMBL3576747 0.84 DUT (0.68) DUTTYMPTYMSP2RY2P2RY4

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 DUT 1/4885TYMP 32/4885TYMS 15/4885
US-20100075924-A1 DUTPASE INHIBITORS DUT, DHODH, CCNO DUT 1/4885TYMP 39/4885TYMS 29/4885

“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.