SCHEMBL3136458

SCHEMBL3136458

Cc1cn(CC(=O)N(CCNS(=O)(=O)c2nc3ccccc3s2)CC(=O)O)c(=O)[nH]c1=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TK2 O00142 6/20 0.35
HPGD P15428 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
TK1 P04183 3/20 0.34
MAPK1 P28482 1/20 0.33
GLO1 Q04760 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL3137986 0.92 MAPK1 (0.37) TK2HPGDRAB9ATK1MAPK1
SCHEMBL21525037 0.89 HPGD (0.36) TK2HPGDPKMRAB9ATK1
SCHEMBL21525073 0.87 LMNA (0.35) TK2HPGDPKMRAB9ATK1
SCHEMBL4418604 0.87 TK1 (0.35) TK2HPGDCA1CA2CA12
SCHEMBL4414797 0.84 TK1 (0.37) TK2HPGDCA1CA2CA12
SCHEMBL4425730 0.83 ADORA3 (0.39) TK2CA1CA2CA12CA9
SCHEMBL4417043 0.80 MEN1 (0.38) TK2HPGDCA1CA2CA12
SCHEMBL15225666 0.80 HPGD (0.36) TK2HPGDPKMRAB9ATK1
SCHEMBL4414566 0.79 CA12 (0.38) TK2HPGDCA1CA2CA12
SCHEMBL4415959 0.79 DDX3X (0.34) TK2HPGDCA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2174936-B1 PNA monomer and precursor PANAGENE INC (KR) 2013-09-04 EP disclosed
EP-2174936-A1 PNA monomer and precursor Panagene, Inc. (KR) 2010-04-14 EP disclosed
EP-1501812-B1 PNA MONOMER AND PRECURSOR PANAGENE INC (KR) 2009-12-30 EP disclosed
US-7411065-B2 Peptide nucleic acid monomers: diphenylmethyl, benzyl, alkylthioalkyl, or phenylthioalkyl esters of N-(1-[4-(2-benzothiazolyl-, 2-benzoxazolyl-, 2-benzofuranyl- or 2-benzothiophenyl-sulfonyl)-3-piperazinon-1-ylcarbonylmethyl]pyrimidon-4-yl)carbamic acids PANAGENE, INC. (KR) 2008-08-12 US disclosed
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-20050250785-A1 PNA monomer and precursor PANAGENE, INC. (KR) 2005-11-10 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 (7 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 TK2 1134/4885HPGD 4004/4885CA1 2957/4885
US-20050283005-A1 PNA monomer and precursor PNISR, RNGTT, POLL TK2 1203/4885HPGD 3713/4885CA1 2552/4885
US-20050250785-A1 PNA monomer and precursor PNISR, RNGTT, POLL TK2 1203/4885HPGD 3713/4885CA1 2552/4885
US-20030225252-A1 PNA monomer and precursor PNISR, RNGTT, NCL TK2 1306/4885HPGD 3726/4885CA1 2094/4885
US-20060008835-A1 PNA monomer and precursor PNISR, RNGTT, POLL TK2 1203/4885HPGD 3713/4885CA1 2552/4885
US-20050250786-A1 PNA monomer and precursor PNISR, RNGTT, NPR1 TK2 1068/4885HPGD 2418/4885CA1 2968/4885
US-20060003374-A1 Method of making PNA oligomers RNGTT, POLL, PNISR TK2 1119/4885HPGD 3841/4885CA1 2761/4885

“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.