SCHEMBL12701323

SCHEMBL12701323

CC(C)C(=O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C2(CC2)[C@@H]1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DUT P33316 3/20 0.43
P2RY2 P41231 1/20 0.38
P2RY4 P51582 1/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
POLA1 P09884 1/20 0.36
P2RY14 Q15391 2/20 0.34
SLC28A1 O00337 1/20 0.33
SLC28A2 O43868 1/20 0.33
SLC29A1 Q99808 1/20 0.33
SLC28A3 Q9HAS3 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
P2RY6 Q15077 1/20 0.33

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
SCHEMBL12701434 0.87 P2RY2 (0.43) DUTP2RY2P2RY4CYP3A4CYP2C9
SCHEMBL12701381 0.86 DUT (0.45) DUTP2RY2P2RY4POLA1P2RY14
SCHEMBL12701621 0.83 PDE3A (0.42) POLA1SLC29A1
SCHEMBL12701626 0.78 POLA1 (0.30) POLA1
SCHEMBL12701588 0.77 TYMP (0.40) DUTP2RY2P2RY4CYP3A4CYP2C9
SCHEMBL19614657 0.77 DUT (0.55) DUTP2RY2P2RY4CYP3A4CYP2C9
SCHEMBL19614658 0.77 DUT (0.55) DUTP2RY2P2RY4CYP3A4CYP2C9
SCHEMBL23326504 0.77 P2RY2 (0.39) DUTP2RY2P2RY4CYP3A4CYP2C9
SCHEMBL20774297 0.77 P2RY2 (0.39) DUTP2RY2P2RY4CYP3A4CYP2C9
SCHEMBL15898672 0.76 CYP3A4 (0.49) P2RY2P2RY4CYP3A4CYP2C9POLA1

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-8431588-B2 Cyclopropyl polymerase inhibitors JANSSEN PRODUCTS, LP (US) 2013-04-30 US disclosed
US-8431588-B2 Cyclopropyl polymerase inhibitors JANSSEN PRODUCTS, LP (US) 2013-04-30 US disclosed
US-20110092460-A1 CYCLOPROPYL POLYMERASE INHIBITORS CENTOCOR ORTHO BIOTECH PRODUCTS L.P. (US) 2011-04-21 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 (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-20110092460-A1 CYCLOPROPYL POLYMERASE INHIBITORS POLR2E, POLR2H, CTR9 DUT 446/4885P2RY2 983/4885P2RY4 529/4885

“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.