SCHEMBL2113460

SCHEMBL2113460

COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(O)[C@H]2O[C@@H](n3ccc(NC(=O)C(C)C)nc3=O)C[C@@H]2O)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
ADORA3 P0DMS8 1/20 0.36
P2RY6 Q15077 3/20 0.35
NT5E P21589 2/20 0.35
P2RY14 Q15391 2/20 0.35
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
ROCK2 O75116 1/20 0.32
P2RY2 P41231 1/20 0.32
P2RY4 P51582 1/20 0.32
DUT P33316 2/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
TYMP P19971 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
SCHEMBL2112368 0.93 POLB (0.42) POLBABL1RIN1ADORA3P2RY6
SCHEMBL332975 0.91 POLB (0.51) POLBABL1RIN1ADORA3P2RY6
SCHEMBL7533550 0.91 POLB (0.51) POLBABL1RIN1ADORA3P2RY6
SCHEMBL8607542 0.91 POLB (0.49) POLBABL1RIN1ADORA3P2RY6
SCHEMBL2113458 0.89 POLB (0.38) POLBABL1RIN1P2RY6NT5E
SCHEMBL2270354 0.88 POLB (0.38) POLBABL1RIN1P2RY6NT5E
SCHEMBL29703052 0.88 POLB (0.39) POLBABL1RIN1ADORA3P2RY6
SCHEMBL618137 0.87 POLB (0.39) POLBABL1RIN1P2RY6NT5E
SCHEMBL8389653 0.87 NPC1 (0.41) POLBABL1RIN1ADORA3P2RY6
SCHEMBL8607539 0.85 POLB (0.45) POLBABL1RIN1ADORA3P2RY6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158770-B2 Content dependent inhibitors of cytidine deaminases and uses thereof UNIVERSITY OF ROCHESTER (US) 2012-04-17 US disclosed
US-20090099105-A1 Content dependent inhibitors of cytidine deaminases and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-04-16 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-20090099105-A1 Content dependent inhibitors of cytidine deaminases and uses thereof DCTD, CDA, ADA POLB 257/4885ABL1 629/4885RIN1 2676/4885

“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.