SCHEMBL2116345

SCHEMBL2116345

COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(O)[C@@H]2C[C@@H](O)[C@H](n3ccc(NC(=O)c4ccccc4)nc3=O)O2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 5/20 0.47
P2RY14 Q15391 2/20 0.47
NT5E P21589 1/20 0.47
POLB P06746 1/20 0.45
ABL1 P00519 1/20 0.45
RIN1 Q13671 1/20 0.45
ADORA3 P0DMS8 3/20 0.38
ST6GAL1 P15907 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
EGFR P00533 1/20 0.35
ERBB3 P21860 1/20 0.35
F2 P00734 1/20 0.35
P2RY2 P41231 2/20 0.35
P2RY4 P51582 1/20 0.35
CDKN1A P38936 1/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL2116344 0.90 P2RY6 (0.43) P2RY6P2RY14NT5EPOLBABL1
SCHEMBL2114901 0.87 P2RY6 (0.51) P2RY6P2RY14NT5EPOLBABL1
SCHEMBL7533550 0.86 POLB (0.51) P2RY6P2RY14NT5EPOLBABL1
SCHEMBL332975 0.86 POLB (0.51) P2RY6P2RY14NT5EPOLBABL1
SCHEMBL8607542 0.84 POLB (0.49) P2RY6P2RY14NT5EPOLBABL1
SCHEMBL7919968 0.83 P2RY6 (0.48) P2RY6P2RY14NT5EPOLBABL1
SCHEMBL7245844 0.82 P2RY6 (0.47) P2RY6P2RY14NT5EPOLBABL1
SCHEMBL4455104 0.82 P2RY6 (0.47) P2RY6P2RY14NT5EPOLBABL1
SCHEMBL6839230 0.82 ABL1 (0.49) P2RY6P2RY14NT5EPOLBABL1
SCHEMBL441119 0.81 P2RY6 (0.42) P2RY6P2RY14NT5EPOLBABL1

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 P2RY6 3383/4885P2RY14 3427/4885NT5E 126/4885

“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.