SCHEMBL766623

SCHEMBL766623

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PYGM P11217 1/20 0.45
P2RY6 Q15077 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
PMP22 Q01453 1/20 0.38
HBB P68871 1/20 0.38
P2RY2 P41231 2/20 0.37
P2RY4 P51582 1/20 0.37
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 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
SCHEMBL2337862 0.81 SLC28A1 (0.44) P2RY6P2RY2P2RY4
SCHEMBL4653181 0.79 TK1 (0.45) SMN1; SMN2TSHRLMNAMAPTPMP22
SCHEMBL4662922 0.78 TK1 (0.45) LMNAALDH1A1POLB
SCHEMBL3080904 0.77 PYGM (0.48) PYGMP2RY6SMN1; SMN2TSHRLMNA
SCHEMBL4601745 0.72 PYGM (0.77) PYGMP2RY6P2RY2P2RY4
SCHEMBL720545 0.72 PYGM (0.77) PYGMP2RY6P2RY2P2RY4
SCHEMBL12642313 0.72 PYGM (0.77) PYGMP2RY6P2RY2P2RY4
SCHEMBL6136123 0.71 SLC28A1 (0.52) P2RY6P2RY2P2RY4
SCHEMBL5614069 0.71 PYGM (0.60) PYGMP2RY6SMN1; SMN2TSHRLMNA
SCHEMBL16943088 0.71 PYGM (0.49) PYGMP2RY6SMN1; SMN2LMNAP2RY2

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 10 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
WO-2010101951-A1 NUCLEIC ACID CHEMICAL MODIFICATIONS ALNYLAM PHARMACEUTICALS, INC. (US) 2010-09-10 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 (2 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 3116/4885P2RY6 3342/4885SMN1; SMN2 636/4885
US-20120071641-A1 NUCLEIC ACID CHEMICAL MODIFICATIONS NSUN2, RNMT, NSUN3 PYGM 3144/4885P2RY6 3489/4885SMN1; SMN2 638/4885

“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.