SCHEMBL3137591

SCHEMBL3137591

CCOC(=O)CN(CCNS(=O)(=O)c1nc2ccccc2s1)C(=O)Cn1cnc2c(NC(=O)OCc3ccc(OC)c(OC)c3)ncnc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.38
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 3/20 0.33
PKM P14618 1/20 0.33
ABL1 P00519 1/20 0.32
RIN1 Q13671 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
GPX4 P36969 1/20 0.32
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 0.32
EGFR P00533 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
PPARG P37231 1/20 0.31
NR2E3 Q9Y5X4 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
HTT P42858 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
SCHEMBL4838681 0.94 ABL1 (0.34) KDRALDH1A1MAPTKDM4EPKM
SCHEMBL3136781 0.93 KDR (0.33) KDRALDH1A1MAPTPKMTP53
SCHEMBL3137401 0.90 ALDH1A1 (0.34) ALDH1A1MAPTKDM4ELMNATP53
SCHEMBL3133523 0.88 KDR (0.37) KDRALDH1A1MAPTKDM4EPKM
SCHEMBL4838731 0.87 PKM (0.34) KDRALDH1A1MAPTPKMRAB9A
SCHEMBL3253725 0.86 SMN1; SMN2 (0.33) KDRALDH1A1MAPTRAB9ANPC1
SCHEMBL3136422 0.85 MAPK1 (0.32) KDRMAPTKDM4ERAB9ANPC1
SCHEMBL4407963 0.84 ABL1 (0.48) KDRALDH1A1MAPTKDM4EPKM
SCHEMBL4844273 0.83 EDNRA (0.35) ALDH1A1MAPTKDM4ELMNATP53
SCHEMBL4847336 0.82 ABL1 (0.34) KDRALDH1A1MAPTKDM4EPKM

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 20 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
EP-1501812-A4 PNA MONOMER AND PRECURSOR PANAGENE INC (KR) 2006-05-24 EP 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
EP-1501812-A1 PNA MONOMER AND PRECURSOR Panagene, Inc. (KR) 2005-02-02 EP disclosed
US-20030225252-A1 PNA monomer and precursor PANAGENE, INC. (KR) 2003-12-04 US disclosed
WO-2003091231-A1 PNA MONOMER AND PRECURSOR PANAGENE, INC. (US) 2003-11-06 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 (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 KDR 2819/4885ALDH1A1 3058/4885MAPT 4141/4885
US-20050283005-A1 PNA monomer and precursor PNISR, RNGTT, POLL KDR 2966/4885ALDH1A1 3966/4885MAPT 4291/4885
US-20050250785-A1 PNA monomer and precursor PNISR, RNGTT, POLL KDR 2966/4885ALDH1A1 3966/4885MAPT 4291/4885
US-20030225252-A1 PNA monomer and precursor PNISR, RNGTT, NCL KDR 3189/4885ALDH1A1 4151/4885MAPT 4396/4885
US-20060008835-A1 PNA monomer and precursor PNISR, RNGTT, POLL KDR 2966/4885ALDH1A1 3966/4885MAPT 4291/4885
US-20050250786-A1 PNA monomer and precursor PNISR, RNGTT, NPR1 KDR 1972/4885ALDH1A1 3448/4885MAPT 4051/4885
US-20060003374-A1 Method of making PNA oligomers RNGTT, POLL, PNISR KDR 3058/4885ALDH1A1 4029/4885MAPT 4384/4885

“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.