SCHEMBL14702153

SCHEMBL14702153

CC[C@@]12CO[C@@H]([C@H](n3cc(I)c(=O)[nH]c3=O)O1)[C@@H]2C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PYGM P11217 1/20 0.41
TK1 P04183 3/20 0.38
P2RY6 Q15077 5/20 0.36
P2RY14 Q15391 3/20 0.36
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
PMP22 Q01453 1/20 0.32
HBB P68871 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BCHE P06276 2/20 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
SCHEMBL14511254 1.00 PYGM (0.41) PYGMTK1P2RY6P2RY14TSHR
SCHEMBL13976552 0.89 PYGM (0.46) PYGMTK1P2RY6P2RY14TSHR
SCHEMBL16307200 0.89 PYGM (0.46) PYGMTK1P2RY6P2RY14TSHR
SCHEMBL13976532 0.89 PYGM (0.46) PYGMTK1P2RY6P2RY14TSHR
SCHEMBL14702170 0.87 ALDH1A1 (0.42) TK1LMNA
SCHEMBL14929163 0.87 ALDH1A1 (0.42) TK1LMNA
SCHEMBL14946289 0.87 ALDH1A1 (0.42) TK1LMNA
SCHEMBL14702179 0.84 TK1 (0.32) TK1TSHRLMNAMAPTPMP22
SCHEMBL14511253 0.84 TK1 (0.32) TK1TSHRLMNAMAPTPMP22
SCHEMBL13976629 0.81 PYGM (0.36) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8779118-B2 Base modified bicyclic nucleosides and oligomeric compounds prepared therefrom ISIS PHARMACEUTICALS, INC. (US) 2014-07-15 US disclosed
US-20130041011-A1 BASE MODIFIED BICYCLIC NUCLEOSIDES AND OLIGOMERIC COMPOUNDS PREPARED THEREFROM ISIS PHARMACEUTICALS, INC. (US) 2013-02-14 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-20130041011-A1 BASE MODIFIED BICYCLIC NUCLEOSIDES AND OLIGOMERIC COMPOUNDS PREPARED THEREFROM RNMT, HNRNPM, NSUN2 PYGM 972/4885TK1 383/4885P2RY6 2108/4885

“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.