SCHEMBL3127239

SCHEMBL3127239

CCOC(=O)Cn1cnc2c(NC(=O)OCc3ccc4c(c3)OCO4)ncnc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.45
PDE5A O76074 1/20 0.44
CYP3A4 P08684 2/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
HTT P42858 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 2/20 0.43
TP53 P04637 3/20 0.42
LMNA P02545 3/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 3/20 0.41
MAPT P10636 2/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL3130066 0.90 NPC1 (0.45) MKNK1PDE5ACYP3A4NPC1RAB9A
SCHEMBL3127265 0.86 KMT2A (0.48) MKNK1PDE5ACYP3A4NPC1RAB9A
SCHEMBL14611763 0.84 TDP1 (0.44) CYP3A4NPC1RAB9AHTTCYP1A2
SCHEMBL6690200 0.83 TDP1 (0.49) MKNK1NPC1RAB9AHTTTP53
SCHEMBL3137668 0.83 TDP1 (0.43) CYP3A4NPC1RAB9AHTTCYP1A2
SCHEMBL13314227 0.81 MKNK1 (0.42) MKNK1RAB9AHTTLMNATDP1
SCHEMBL3137401 0.78 ALDH1A1 (0.34) MKNK1PDE5AHTTKMT2ATP53
SCHEMBL3134587 0.76 KMT2A (0.47) CYP3A4NPC1RAB9AHTTCYP1A2
SCHEMBL3130099 0.74 ADORA1 (0.40) MKNK1PDE5ANPC1RAB9AKDM4E
SCHEMBL3138201 0.73 LMNA (0.44) MKNK1CYP3A4HTTCYP1A2KMT2A

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 MKNK1 3099/4885PDE5A 4731/4885CYP3A4 4648/4885
US-20050283005-A1 PNA monomer and precursor PNISR, RNGTT, POLL MKNK1 2287/4885PDE5A 4580/4885CYP3A4 4595/4885
US-20050250785-A1 PNA monomer and precursor PNISR, RNGTT, POLL MKNK1 2287/4885PDE5A 4580/4885CYP3A4 4595/4885
US-20030225252-A1 PNA monomer and precursor PNISR, RNGTT, NCL MKNK1 2181/4885PDE5A 4478/4885CYP3A4 4571/4885
US-20060008835-A1 PNA monomer and precursor PNISR, RNGTT, POLL MKNK1 2287/4885PDE5A 4580/4885CYP3A4 4595/4885
US-20050250786-A1 PNA monomer and precursor PNISR, RNGTT, NPR1 MKNK1 2401/4885PDE5A 2835/4885CYP3A4 4583/4885
US-20060003374-A1 Method of making PNA oligomers RNGTT, POLL, PNISR MKNK1 3216/4885PDE5A 4533/4885CYP3A4 4675/4885

“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.