SCHEMBL259172

SCHEMBL259172

O=C1O[P]Oc2cccc(Cl)c21

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.36
AHR P35869 2/20 0.35
RET P07949 1/20 0.34
GRK5 P34947 1/20 0.34
TYRO3 Q06418 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
GRIA1 P42261 1/20 0.33
CACNG8 Q8WXS5 1/20 0.33
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
PBRM1 Q86U86 2/20 0.30
GUSB P08236 1/20 0.30

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
SCHEMBL259173 0.68 CES1 (0.36) CES1AHRRETGRK5TYRO3
SCHEMBL1409005 0.66 TDP1 (0.40) CES1MEN1KMT2ATDP1
SCHEMBL2583971 0.64
SCHEMBL9780105 0.64 TSHR (0.40) CES1AHRRETGRK5TYRO3
SCHEMBL2471569 0.64 TSHR (0.57) CES1RETGRK5TYRO3DYRK1B
SCHEMBL6704023 0.63 TTR (0.36) CES1AHRRETGRK5TYRO3
SCHEMBL12431229 0.62 ITGB1 (0.40)
SCHEMBL29351267 0.60 TYMS (0.52) CES1RETGRK5TYRO3DYRK1B
SCHEMBL261766 0.60 TYMS (0.52) CES1RETGRK5TYRO3DYRK1B
SCHEMBL125609 0.60 NSD2 (0.55) CES1ALDH1A1TDP1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895712-B2 Artificial base pair capable of forming specific base pair RIKEN (JP) 2014-11-25 US disclosed
US-8440813-B2 Antiviral nucleoside analogs BIOCRYST PHARMACEUTICALS, INC. (US) 2013-05-14 US disclosed
US-8426569-B2 DNA capable of being amplified by PCR with high selectivity and high efficiency RIKEN (JP) 2013-04-23 US disclosed
US-20130078218-A1 HEPATITIS C THERAPIES BIOCRYST PHARMACEUTICALS, INC. 2013-03-28 US disclosed
EP-2537520-A1 Hepatics C therapies Biocryst Pharmaceuticals, Inc. (US) 2012-12-26 EP disclosed
EP-2535345-A1 Anticancer nucleoside analogs BioCryst Pharmaceuticals, Inc. (US) 2012-12-19 EP disclosed
US-20120231462-A1 ARTIFICIAL BASE PAIR CAPABLE OF FORMING SPECIFIC BASE PAIR TAGCYX BIOTECHNOLOGIES (JP) 2012-09-13 US disclosed
US-20120213735-A1 THERAPEUTIC FUROPYRIMIDINES AND THIENOPYRIMIDINES BIOCRYST PHARMACEUTICALS, INC. (US) 2012-08-23 US disclosed
EP-2487181-A1 ARTIFICIAL BASE PAIR CAPABLE OF FORMING SPECIFIC BASE PAIR Riken (JP) 2012-08-15 EP disclosed
EP-2114980-B1 ANTIVIRAL NUCLEOSIDE ANALOGS BIOCRYST PHARM INC (US) 2012-06-27 EP disclosed
WO-2008089105-A2 ANTIVIRAL NUCLEOSIDE ANALOGS BIOCRYST PHARMACEUTICALS, INC. (US) 2008-07-24 WO disclosed
EP-1863500-A2 HEPATITIS C THERAPIES BIOCRYST PHARMACEUTICALS, INC. (US) 2007-12-12 EP disclosed
EP-1814561-A2 THERAPEUTIC FUROPYRIMIDINES AND THIENOPYRIMIDINES Biocryst Pharmaceuticals, Inc. (US) 2007-08-08 EP disclosed
US-20060234963-A1 Hepatitis C therapies WILMINGTON TRUST, NATIONAL ASSOCIATION 2006-10-19 US disclosed
WO-2006104945-A2 HEPATITIS C THERAPIES BIOCRYST PHARMACEUTICALS, INC. (US) 2006-10-05 WO disclosed
US-20060165655-A1 Therapeutic furopyrimidines and thienopyrimidines WILMINGTON TRUST, NATIONAL ASSOCIATION 2006-07-27 US disclosed
WO-2006050161-A2 THERAPEUTIC FUROPYRIMIDINES AND THIENOPYRIMIDINES BIOCRYST PHARMACEUTICALS, INC. (US) 2006-05-11 WO disclosed
EP-1485395-A2 NUCLEOTIDE MIMICS AND THEIR PRODRUGS Biota, Inc. (US) 2004-12-15 EP disclosed
WO-2003072757-A9 NUCLEOTIDE MIMICS AND THEIR PRODRUGS BIOTA INC (US) 2004-10-21 WO disclosed
WO-2003072757-A2 NUCLEOTIDE MIMICS AND THEIR PRODRUGS BIOTA, INC. (US) 2003-09-04 WO 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 (5 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-20130078218-A1 HEPATITIS C THERAPIES HAVCR2, FABP1, LIPC CES1 56/4885AHR 554/4885RET 3634/4885
US-20060234963-A1 Hepatitis C therapies HAVCR2, FABP1, LIPC CES1 56/4885AHR 554/4885RET 3634/4885
US-20120231462-A1 ARTIFICIAL BASE PAIR CAPABLE OF FORMING SPECIFIC BASE PAIR NSUN2, EIF2AK2, NSUN3 CES1 4823/4885AHR 2691/4885RET 3755/4885
US-20060165655-A1 Therapeutic furopyrimidines and thienopyrimidines DPYD, TYMP, TYMS CES1 2844/4885AHR 3770/4885RET 1019/4885
US-20120213735-A1 THERAPEUTIC FUROPYRIMIDINES AND THIENOPYRIMIDINES DPYD, TYMP, TYMS CES1 2844/4885AHR 3770/4885RET 1019/4885

“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.