SCHEMBL4847336

SCHEMBL4847336

COc1ccc(COC(=O)Nc2nc3c(ncn3CC(=O)N(CCNS(=O)(=O)c3nc4ccccc4s3)CC(=O)O)c(=O)[nH]2)cc1OC

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.34
RIN1 Q13671 1/20 0.34
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
LMNA P02545 1/20 0.32
KDR P35968 1/20 0.32
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.32
SSTR5 P35346 2/20 0.32
GPX4 P36969 1/20 0.32
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MAPK10 P53779 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
SCHEMBL3133523 0.94 KDR (0.37) ABL1RIN1ALDH1A1KDM4EPKM
SCHEMBL4834952 0.93 PKM (0.33) ALDH1A1KDM4EPKMLMNAMAPT
SCHEMBL4834803 0.89 TSHR (0.33) ALDH1A1KDM4EPKMLMNAMAPT
SCHEMBL4838681 0.88 ABL1 (0.34) ABL1RIN1ALDH1A1KDM4EPKM
SCHEMBL3137655 0.87 KDR (0.32) ALDH1A1KDM4EPKMLMNAKDR
SCHEMBL4835790 0.86 MEN1 (0.34) MEN1TSHRKMT2A
SCHEMBL27620330 0.85 ABL1 (0.33) ABL1RIN1ALDH1A1KDM4EPKM
SCHEMBL3136494 0.84 SMN1; SMN2 (0.34) ALDH1A1KDM4EPKMLMNAMAPT
SCHEMBL4843329 0.84 TK1 (0.32) MEN1TSHRKMT2A
SCHEMBL4838665 0.83 ABL1 (0.51) ABL1RIN1ALDH1A1KDM4EPKM

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
US-7371860-B2 PNA monomer and precursor PANAGENE, INC. (KR) 2008-05-13 US disclosed
US-7371859-B2 Peptide nucleic acid monomers; 1-(4-(benzothiazolyl-, benzoxazolyl-, benzofuranyl-, and benzothiophenyl- sulfonyl)piperidin-3-one-1-ylcarbonylmethyl)adenines; suitable for automatic and parallel synthesis; increased yields PANAGENE, INC. (KR) 2008-05-13 US disclosed
US-7179896-B2 Method of making PNA oligomers PANAGENE, INC. (KR) 2007-02-20 US disclosed
US-7145006-B2 PNA monomer and precursor PANAGENE, INC. (KR) 2006-12-05 US disclosed
US-7125994-B2 PNA monomer and precursor PANAGENE, INC. (KR) 2006-10-24 US disclosed
US-20060030709-A1 Peptide nucleic acid monomers; 1-(4-(benzothiazolyl-, benzoxazolyl-, benzofuranyl-, and benzothiophenyl- sulfonyl)piperidin-3-one-1-ylcarbonylmethyl)adenines; suitable for automatic and parallel synthesis; increased yields PANAGENE, INC. (KR) 2006-02-09 US disclosed
US-20060008835-A1 PNA monomer and precursor KIM SUNG K 2006-01-12 US disclosed
US-20060003374-A1 Method of making PNA oligomers KIM SUNG K 2006-01-05 US disclosed
US-20050283005-A1 PNA monomer and precursor KIM SUNG K 2005-12-22 US disclosed
US-6969766-B2 PNA monomer and precursor PANAGENE, INC. (KR) 2005-11-29 US disclosed
US-20050250786-A1 PNA monomer and precursor PANAGENE, INC. (KR) 2005-11-10 US disclosed
US-20030225252-A1 PNA monomer and precursor PANAGENE, INC. (KR) 2003-12-04 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 (6 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-20060030709-A1 Peptide nucleic acid monomers; 1-(4-(benzothiazolyl-, benzoxazolyl-, benzofuranyl-, and benzothiophenyl- sulfonyl)piperidin-3-one-1-ylcarbonylmethyl)adenines; suitable for automatic and parallel synthesis; increased yields RNGTT, POLL, RNMT ABL1 2319/4885RIN1 2045/4885ALDH1A1 3058/4885
US-20050283005-A1 PNA monomer and precursor PNISR, RNGTT, POLL ABL1 2566/4885RIN1 1880/4885ALDH1A1 3966/4885
US-20030225252-A1 PNA monomer and precursor PNISR, RNGTT, NCL ABL1 2254/4885RIN1 1765/4885ALDH1A1 4151/4885
US-20060008835-A1 PNA monomer and precursor PNISR, RNGTT, POLL ABL1 2566/4885RIN1 1880/4885ALDH1A1 3966/4885
US-20050250786-A1 PNA monomer and precursor PNISR, RNGTT, NPR1 ABL1 1741/4885RIN1 2592/4885ALDH1A1 3448/4885
US-20060003374-A1 Method of making PNA oligomers RNGTT, POLL, PNISR ABL1 2667/4885RIN1 1999/4885ALDH1A1 4029/4885

“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.