SCHEMBL12701331

SCHEMBL12701331

COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)C3(CC3)[C@@H]2O)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TYMP P19971 2/20 0.45
DUT P33316 5/20 0.41
P2RY2 P41231 2/20 0.41
P2RY4 P51582 1/20 0.41
P2RY14 Q15391 2/20 0.41
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
POLA1 P09884 1/20 0.39
P2RY6 Q15077 1/20 0.37
NT5E P21589 1/20 0.36
SLC6A1 P30531 2/20 0.36
SLC6A11 P48066 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
SCHEMBL13575501 0.89 P2RY2 (0.54) TYMPDUTP2RY2P2RY4P2RY14
SCHEMBL31657584 0.88 CYP3A4 (0.52) TYMPDUTP2RY2P2RY4P2RY14
SCHEMBL31657606 0.88 CYP3A4 (0.52) TYMPDUTP2RY2P2RY4P2RY14
SCHEMBL31467672 0.88 TYMP (0.45) TYMPDUTP2RY2P2RY4P2RY14
SCHEMBL19185368 0.88 CYP3A4 (0.52) TYMPDUTP2RY2P2RY4P2RY14
SCHEMBL17737292 0.88 CYP3A4 (0.52) TYMPDUTP2RY2P2RY4P2RY14
SCHEMBL21905172 0.88 TYMP (0.45) TYMPDUTP2RY2P2RY4P2RY14
SCHEMBL13837115 0.88 TYMP (0.45) TYMPDUTP2RY2P2RY4P2RY14
SCHEMBL12701523 0.87 CYP3A4 (0.39) TYMPDUTP2RY2P2RY4P2RY14
SCHEMBL12701588 0.86 TYMP (0.40) TYMPDUTP2RY2P2RY4P2RY14

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 6 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
US-20110092460-A1 CYCLOPROPYL POLYMERASE INHIBITORS CENTOCOR ORTHO BIOTECH PRODUCTS L.P. (US) 2011-04-21 US disclosed
WO-2010000459-A1 CYCLOPROPYL POLYMERASE INHIBITORS CENTOCOR ORTHO BIOTECH PRODUCTS L.P. (US) 2010-01-07 WO disclosed
EP-2141172-A1 Cyclopropyl polymerase inhibitors Ortho Biotech Products L.P. (US) 2010-01-06 EP 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 TYMP 429/4885DUT 446/4885P2RY2 983/4885

“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.