SCHEMBL3133683

SCHEMBL3133683

COc1ccc2sc(S(=O)(=O)NCCN(CC(=O)O)C(=O)OC(C)(C)C)nc2c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.38
PKM P14618 1/20 0.38
ALDH1A1 P00352 5/20 0.35
HPGD P15428 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 4/20 0.33
BRD4 O60885 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 1/20 0.33
ACACB O00763 1/20 0.32
FABP4 P15090 1/20 0.32
MAPK1 P28482 1/20 0.32
USP2 O75604 1/20 0.32
PIK3CD O00329 1/20 0.32
KDM4E B2RXH2 1/20 0.31
CCR6 P51684 1/20 0.31
PAX8 Q06710 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
SCHEMBL3139946 0.82 PPARA (0.39)
SCHEMBL3140234 0.80 PAX8 (0.42) ALDH1A1MAPTL3MBTL1LMNAMAPK1
SCHEMBL4418672 0.74 PPARG (0.37) POLBMAPTLMNA
SCHEMBL4412533 0.74 POLB (0.31) POLBPKMALDH1A1CYP1A2CYP3A4
SCHEMBL4413549 0.74 CA1 (0.33) POLBPKMALDH1A1
SCHEMBL3137752 0.71 POLB (0.39) POLBALDH1A1HPGDCTDSP1CYP1A2
SCHEMBL3140119 0.68 ALDH1A1 (0.41) POLBALDH1A1CYP3A4MAPTLMNA
SCHEMBL3817156 0.67 MEN1 (0.44) PKMALDH1A1MAPTLMNAKDM4E
SCHEMBL3814168 0.67 MAPT (0.40) POLBPKMALDH1A1MAPTL3MBTL1
SCHEMBL3817915 0.67 LMNA (0.39) PKMALDH1A1MAPTLMNAKDM4E

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 POLB 50/4885PKM 1300/4885ALDH1A1 3058/4885
US-20050283005-A1 PNA monomer and precursor PNISR, RNGTT, POLL POLB 43/4885PKM 1406/4885ALDH1A1 3966/4885
US-20050250785-A1 PNA monomer and precursor PNISR, RNGTT, POLL POLB 43/4885PKM 1406/4885ALDH1A1 3966/4885
US-20030225252-A1 PNA monomer and precursor PNISR, RNGTT, NCL POLB 81/4885PKM 1516/4885ALDH1A1 4151/4885
US-20060008835-A1 PNA monomer and precursor PNISR, RNGTT, POLL POLB 43/4885PKM 1406/4885ALDH1A1 3966/4885
US-20050250786-A1 PNA monomer and precursor PNISR, RNGTT, NPR1 POLB 53/4885PKM 1185/4885ALDH1A1 3448/4885
US-20060003374-A1 Method of making PNA oligomers RNGTT, POLL, PNISR POLB 32/4885PKM 1602/4885ALDH1A1 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.