SCHEMBL3137752

SCHEMBL3137752

CCOC(=O)CNCCNS(=O)(=O)c1nc2c(Cl)c(OC)ccc2s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
ALDH1A1 P00352 8/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HPGD P15428 4/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CASP1 P29466 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MAPT P10636 4/20 0.35
ACACB O00763 1/20 0.35
LMNA P02545 2/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
NPC1 O15118 2/20 0.34

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
SCHEMBL3136533 0.80 CA2 (0.42) POLBKMT2AMEN1CA1CA2
SCHEMBL609992 0.78 MAPK1 (0.50) POLBALDH1A1L3MBTL1KMT2AKDM4E
SCHEMBL4414575 0.72 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP2C19HPGDKMT2A
SCHEMBL4423896 0.71 KMT2A (0.38) POLBALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL3140119 0.71 ALDH1A1 (0.41) POLBALDH1A1CYP3A4KMT2AKDM4E
SCHEMBL4413761 0.71 MAPT (0.41) POLBALDH1A1HPGDKMT2AKDM4E
SCHEMBL4417022 0.71 CA1 (0.39) ALDH1A1HPGDKMT2ACA1CA2
SCHEMBL4418662 0.69 LTA4H (0.43) ALDH1A1L3MBTL1HPGDKDM4EHSD17B10
SCHEMBL4413837 0.69 MAPT (0.45) POLBALDH1A1HPGDKMT2AKDM4E
SCHEMBL4419660 0.69 ADORA3 (0.53) ALDH1A1CYP1A2CYP2C19HPGDKMT2A

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 50/4885ALDH1A1 3058/4885CYP1A2 4766/4885
US-20050283005-A1 PNA monomer and precursor PNISR, RNGTT, POLL POLB 43/4885ALDH1A1 3966/4885CYP1A2 4647/4885
US-20050250785-A1 PNA monomer and precursor PNISR, RNGTT, POLL POLB 43/4885ALDH1A1 3966/4885CYP1A2 4647/4885
US-20030225252-A1 PNA monomer and precursor PNISR, RNGTT, NCL POLB 81/4885ALDH1A1 4151/4885CYP1A2 4619/4885
US-20060008835-A1 PNA monomer and precursor PNISR, RNGTT, POLL POLB 43/4885ALDH1A1 3966/4885CYP1A2 4647/4885
US-20050250786-A1 PNA monomer and precursor PNISR, RNGTT, NPR1 POLB 53/4885ALDH1A1 3448/4885CYP1A2 4182/4885
US-20060003374-A1 Method of making PNA oligomers RNGTT, POLL, PNISR POLB 32/4885ALDH1A1 4029/4885CYP1A2 4747/4885

“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.