SCHEMBL2114276

SCHEMBL2114276

COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(O)[C@H]2O[C@@H](n3cc(C)c(NC(=O)c4ccccc4)nc3=O)C[C@@H]2O)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TMIGD3 P0DMS9 3/20 0.40
ADORA3 P0DMS8 9/20 0.38
ADORA1 P30542 2/20 0.38
ADORA2A P29274 2/20 0.36
POLB P06746 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
ABL1 P00519 1/20 0.35
RIN1 Q13671 1/20 0.35
ADORA2B P29275 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL25512062 0.92 TMIGD3 (0.40) TMIGD3ADORA3ADORA1ADORA2APOLB
SCHEMBL2114275 0.90 POLB (0.34) TMIGD3ADORA2APOLBHSP90AA1HSP90AB1
SCHEMBL7599198 0.88 TMIGD3 (0.36) TMIGD3ADORA3ADORA1ADORA2APOLB
SCHEMBL7651302 0.88 TMIGD3 (0.36) TMIGD3ADORA3ADORA1ADORA2APOLB
SCHEMBL332975 0.86 POLB (0.51) TMIGD3ADORA3POLBHSP90AA1HSP90AB1
SCHEMBL7533550 0.86 POLB (0.51) TMIGD3ADORA3POLBHSP90AA1HSP90AB1
SCHEMBL8607542 0.84 POLB (0.49) ADORA3POLBHSP90AA1HSP90AB1ABL1
SCHEMBL25512274 0.84 POLB (0.42) TMIGD3POLBABL1RIN1
SCHEMBL10821859 0.84 TMIGD3 (0.34) TMIGD3ADORA3ADORA1ADORA2APOLB
SCHEMBL7599000 0.83 TMIGD3 (0.33) TMIGD3ADORA3ADORA1ADORA2APOLB

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 4 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-20040014699-A1 Antisense modulation of PTPRM expression ISIS PHARMACEUTICALS, INC. 2004-01-22 US disclosed
US-20030224511-A1 Oligonucleotide for preventing cysteine protease expression (CAPTHESIN Z) and treatment of viral, infectious and tumor diseases ISIS PHARMACEUTICALS INC. 2003-12-04 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 TMIGD3 2598/4885ADORA3 974/4885ADORA1 1559/4885

“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.