SCHEMBL13610657

SCHEMBL13610657

CNC(=O)CCC(=O)O[C@@H]1C[C@H](n2cc(/C=C/C(=O)NCCNC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)c(=O)[nH]c2=O)O[C@@H]1COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TK2 O00142 1/20 0.33
TRPV1 Q8NER1 3/20 0.32
RNASE1 P07998 1/20 0.32
TYMS P04818 2/20 0.31
TYMP P19971 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
SCHEMBL13032488 1.00 TK2 (0.33) TK2TRPV1RNASE1TYMSTYMP
SCHEMBL13032480 0.93 DRD2 (0.33) TK2RNASE1TYMSTYMP
SCHEMBL13610662 0.93 DRD2 (0.33) TK2RNASE1TYMSTYMP
SCHEMBL12259025 0.91 TYMS (0.32) TK2TRPV1TYMSTYMP
SCHEMBL12259021 0.83 DRD2 (0.33) TYMSTYMP
SCHEMBL13610670 0.83
SCHEMBL12259024 0.83
SCHEMBL13032473 0.78 EPHA2 (0.40)
SCHEMBL13610652 0.78 EPHA2 (0.40)
SCHEMBL13610651 0.77 POLA1 (0.39)

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-8404862-B2 Ligand-conjugated monomers ALNYLAM PHARMACEUTICALS, INC. (US) 2013-03-26 US disclosed
US-20090286973-A1 LIGAND-CONJUGATED MONOMERS ALNYLAM PHARMACEUTICALS, INC. (US) 2009-11-19 US disclosed
US-7582744-B2 containing 2'-O-methyl modified nucleoside; oligonucleotide having a nucleotide sequence consisting of from 12 to 23 nucleotides in length sufficiently complementary to a microRNA target sequence of about 12 to 23 nucleotides, conjugate with a cholesterol or steroid; for inhibiting gene expression ALNYLAM PHARMACEUTICALS, INC. (US) 2009-09-01 US disclosed
US-20070105803-A1 Methods and compositions for treating neurological disease MASSACHUSETTS, UNIVERSITY OF 2007-05-10 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 (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-20070105803-A1 Methods and compositions for treating neurological disease SMN1; SMN2, CLN6, INA TK2 372/4885TRPV1 2619/4885RNASE1 85/4885
US-20090286973-A1 LIGAND-CONJUGATED MONOMERS TNFSF11, BCDIN3D, CD40LG TK2 1317/4885TRPV1 3523/4885RNASE1 515/4885

“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.