SCHEMBL4838306

SCHEMBL4838306

CSCCOC(=O)Nc1ncnc2c1ncn2CC(=O)N(CCNS(=O)(=O)c1nc2ccccc2s1)CC(=O)O

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
MARS1 P56192 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
STAT1 P42224 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA1 P00915 4/20 0.30
CA2 P00918 4/20 0.30
CA4 P22748 2/20 0.30
HDAC1 Q13547 1/20 0.30

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
SCHEMBL3253725 0.94 SMN1; SMN2 (0.33) NPC1RAB9ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL4868075 0.87 NPC1 (0.33) NPC1RAB9ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL4838731 0.87 PKM (0.34) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL4835790 0.87 MEN1 (0.34)
SCHEMBL4838426 0.86 PDE4A (0.32) PDE4APDE4BPDE4CPDE4DTDP1
SCHEMBL4838681 0.86 ABL1 (0.34) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL4844273 0.83 EDNRA (0.35) NPC1RAB9ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL3136422 0.82 MAPK1 (0.32) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL4842968 0.82 MAPT (0.37) NPC1RAB9ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL3136781 0.81 KDR (0.33) NPC1RAB9ASMN1; SMN2ALDH1A1NFKB1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-20030225252-A1 PNA monomer and precursor PANAGENE, INC. (KR) 2003-12-04 US 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 PDE4A 4370/4885PDE4B 4618/4885PDE4C 4438/4885
US-20050283005-A1 PNA monomer and precursor PNISR, RNGTT, POLL PDE4A 4548/4885PDE4B 4609/4885PDE4C 4646/4885
US-20050250785-A1 PNA monomer and precursor PNISR, RNGTT, POLL PDE4A 4548/4885PDE4B 4609/4885PDE4C 4646/4885
US-20030225252-A1 PNA monomer and precursor PNISR, RNGTT, NCL PDE4A 4444/4885PDE4B 4573/4885PDE4C 4553/4885
US-20060008835-A1 PNA monomer and precursor PNISR, RNGTT, POLL PDE4A 4548/4885PDE4B 4609/4885PDE4C 4646/4885
US-20050250786-A1 PNA monomer and precursor PNISR, RNGTT, NPR1 PDE4A 4024/4885PDE4B 4167/4885PDE4C 4226/4885
US-20060003374-A1 Method of making PNA oligomers RNGTT, POLL, PNISR PDE4A 4503/4885PDE4B 4510/4885PDE4C 4547/4885

“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.