SCHEMBL766461

SCHEMBL766461

CC(=O)C(O)[C@H]1O[C@@H](n2cc(I)c(=O)[nH]c2=O)[C@H](F)[C@@]1(O)C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGM P11217 1/20 0.41
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
PMP22 Q01453 1/20 0.36
HBB P68871 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TK1 P04183 3/20 0.36
P2RY6 Q15077 4/20 0.36
P2RY14 Q15391 3/20 0.36
BCHE P06276 2/20 0.32
TYMP P19971 2/20 0.31
CYP1A2 P05177 1/20 0.31
GRIA1 P42261 1/20 0.31
GRIA2 P42262 1/20 0.31
GRIA4 P48058 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
GRIK5 Q16478 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL766460 1.00 PYGM (0.41) PYGMTSHRLMNAMAPTPMP22
SCHEMBL10643586 0.88 LMNA (0.41) TSHRLMNAMAPTPMP22HBB
SCHEMBL766610 0.88 PYGM (0.41) PYGMTSHRLMNAMAPTPMP22
SCHEMBL766611 0.88 PYGM (0.41) PYGMTSHRLMNAMAPTPMP22
SCHEMBL10641749 0.86 LMNA (0.35) TSHRLMNAMAPTPMP22HBB
SCHEMBL766373 0.81 TK2 (0.34) TSHRLMNAMAPTPMP22HBB
SCHEMBL766372 0.81 TK2 (0.34) TSHRLMNAMAPTPMP22HBB
SCHEMBL7677678 0.81 SLC28A1 (0.40) P2RY6
SCHEMBL1822903 0.76 ALDH1A1 (0.41) LMNATK1TYMPBLM
SCHEMBL6258952 0.76 TK1 (0.43) PYGMTK1P2RY6P2RY14BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3424939-A1 NUCLEIC ACID CHEMICAL MODIFICATIONS Alnylam Pharmaceuticals Inc. (US) 2019-01-09 EP disclosed
US-20160348110-A1 NUCLEIC ACID CHEMICAL MODIFICATIONS ALNYLAM PHARMACEUTICALS INC (US) 2016-12-01 US disclosed
US-9453043-B2 Nucleic acid chemical modifications ALNYLAM PHARMACEUTICALS, INC. (US) 2016-09-27 US disclosed
US-20150210733-A1 NUCLEIC ACID CHEMICAL MODIFICATIONS BANK OF AMERICA, N.A. 2015-07-30 US disclosed
US-8975389-B2 Nucleic acid chemical modifications ALNYLAM PHARMACEUTICALS, INC. (US) 2015-03-10 US disclosed
EP-2669290-A1 Nucleic Acid Chemical Modifications Alnylam Pharmaceuticals Inc. (US) 2013-12-04 EP disclosed
EP-2403863-B1 NUCLEIC ACID CHEMICAL MODIFICATIONS ALNYLAM PHARMACEUTICALS INC (US) 2013-08-28 EP disclosed
US-20120071641-A1 NUCLEIC ACID CHEMICAL MODIFICATIONS ALNYLAM PHARMACEUTICALS, INC. (US) 2012-03-22 US disclosed
EP-2403863-A1 NUCLEIC ACID CHEMICAL MODIFICATIONS Alnylam Pharmaceuticals Inc. (US) 2012-01-11 EP disclosed
US-20110130440-A1 NON-NATURAL RIBONUCLEOTIDES, AND METHODS OF USE THEREOF ALNYLAM PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
WO-2010101951-A1 NUCLEIC ACID CHEMICAL MODIFICATIONS ALNYLAM PHARMACEUTICALS, INC. (US) 2010-09-10 WO disclosed
WO-2009120878-A2 NON-NATURAL RIBONUCLEOTIDES, AND METHODS OF USE THEREOF ALNYLAM PHARMACEUTICALS, INC. (US) 2009-10-01 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 (3 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-20150210733-A1 NUCLEIC ACID CHEMICAL MODIFICATIONS NSUN2, RNMT, NSUN3 PYGM 3116/4885TSHR 2831/4885LMNA 839/4885
US-20110130440-A1 NON-NATURAL RIBONUCLEOTIDES, AND METHODS OF USE THEREOF NSUN2, RNMT, RNGTT PYGM 1491/4885TSHR 3199/4885LMNA 853/4885
US-20120071641-A1 NUCLEIC ACID CHEMICAL MODIFICATIONS NSUN2, RNMT, NSUN3 PYGM 3144/4885TSHR 2770/4885LMNA 851/4885

“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.