SCHEMBL3134587

SCHEMBL3134587

CCOC(=O)Cn1ccc(NC(=O)OCc2ccc3c(c2)OCO3)nc1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
CYP3A4 P08684 2/20 0.47
TP53 P04637 2/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 2/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
NAAA Q02083 1/20 0.44
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 2/20 0.42

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
SCHEMBL3133577 0.89 ALDH1A1 (0.48) CYP3A4TP53LMNARAB9ANPC1
SCHEMBL3134598 0.85 KMT2A (0.53) KMT2ACYP3A4TP53KDM4EHPGD
SCHEMBL14611763 0.78 TDP1 (0.44) KMT2ACYP3A4TP53KDM4EHPGD
SCHEMBL3132807 0.78 ABL1 (0.36) CYP3A4TP53KDM4EHPGDLMNA
SCHEMBL3137668 0.77 TDP1 (0.43) KMT2ACYP3A4TP53KDM4EHPGD
SCHEMBL3127239 0.76 MKNK1 (0.45) KMT2ACYP3A4TP53KDM4EHPGD
SCHEMBL14310475 0.74 MAPT (0.50) KMT2AKDM4ERAB9ACYP2C9CYP2C19
SCHEMBL4402710 0.73 RXFP1 (0.47) KMT2AKDM4ERAB9ANPC1MAPT
SCHEMBL3133587 0.72 NPC1 (0.43) KMT2AKDM4EHPGDLMNARAB9A
SCHEMBL13394864 0.72 RAB9A (0.49) KDM4EHPGDLMNARAB9AMAPT

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 KMT2A 2563/4885CYP3A4 4648/4885TP53 1597/4885
US-20050283005-A1 PNA monomer and precursor PNISR, RNGTT, POLL KMT2A 4022/4885CYP3A4 4595/4885TP53 774/4885
US-20050250785-A1 PNA monomer and precursor PNISR, RNGTT, POLL KMT2A 4022/4885CYP3A4 4595/4885TP53 774/4885
US-20030225252-A1 PNA monomer and precursor PNISR, RNGTT, NCL KMT2A 4071/4885CYP3A4 4571/4885TP53 487/4885
US-20060008835-A1 PNA monomer and precursor PNISR, RNGTT, POLL KMT2A 4022/4885CYP3A4 4595/4885TP53 774/4885
US-20050250786-A1 PNA monomer and precursor PNISR, RNGTT, NPR1 KMT2A 3823/4885CYP3A4 4583/4885TP53 819/4885
US-20060003374-A1 Method of making PNA oligomers RNGTT, POLL, PNISR KMT2A 4022/4885CYP3A4 4675/4885TP53 792/4885

“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.