SCHEMBL2113756

SCHEMBL2113756

COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(O)[C@@H]2CC[C@H](n3cc(C)c(=O)[nH]c3=O)O2)cc1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TK1 P04183 4/20 0.42
RNASE1 P07998 1/20 0.41
NT5M Q9NPB1 1/20 0.40
BCHE P06276 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
SCHEMBL6066040 0.92 TK1 (0.45) TK1RNASE1NT5M
SCHEMBL2113755 0.88 TK1 (0.42) TK1RNASE1NT5MBCHE
SCHEMBL7535867 0.84 TK1 (0.52) TK1
SCHEMBL9564565 0.84 TK1 (0.52) TK1
SCHEMBL60737 0.84 TK1 (0.52) TK1
SCHEMBL8999406 0.83 TK1 (0.45) TK1RNASE1NT5M
SCHEMBL8426287 0.83 TK1 (0.45) TK1RNASE1NT5M
SCHEMBL8931988 0.83 RNASE1 (0.42) TK1RNASE1NT5M
SCHEMBL4580937 0.82 NT5M (0.41) TK1RNASE1NT5M
SCHEMBL2112758 0.81 TYMP (0.40) TK1

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 7 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
US-5677439-A PREVENTION GENE EXPRESSION SANOFI (FR) 1997-10-14 US disclosed
EP-0541722-B1 COMPOUNDS AND METHODS FOR INHIBITING GENE EXPRESSION STERLING WINTHROP INC (US) 1995-12-20 EP disclosed
EP-0541722-A1 COMPOUNDS AND METHODS FOR INHIBITING GENE EXPRESSION. STERLING WINTHROP INC (US) 1993-05-19 EP disclosed
WO-1992002534-A2 COMPOUNDS AND METHODS FOR INHIBITING GENE EXPRESSION STERLING DRUG, INC. (US) 1992-02-20 WO disclosed
EP-0040099-A1 Polynucleotide synthesis ens BIO LOGICALS INC. (CA) 1981-11-18 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-20090099105-A1 Content dependent inhibitors of cytidine deaminases and uses thereof DCTD, CDA, ADA TK1 178/4885RNASE1 133/4885NT5M 1073/4885

“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.