SCHEMBL3137660

SCHEMBL3137660

CCOC(=O)CN(CCNS(=O)(=O)c1nc2ccccc2s1)C(=O)Cn1ccc(NC(=O)OCCSC)nc1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.35
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
MAPK1 P28482 2/20 0.34
ALDH1A1 P00352 4/20 0.34
NFKB1 P19838 2/20 0.34
NFKB2 Q00653 2/20 0.34
RELA Q04206 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
STAT1 P42224 1/20 0.34
CYP2C9 P11712 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP26A1 O43174 2/20 0.32
ABL1 P00519 1/20 0.32

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
SCHEMBL4842968 0.93 MAPT (0.37) MAPTSMN1; SMN2RAB9ANPC1MAPK1
SCHEMBL3136193 0.87 MAPT (0.37) MAPTSMN1; SMN2RAB9ANPC1MAPK1
SCHEMBL3132617 0.86 ABL1 (0.41) MAPTSMN1; SMN2RAB9ANPC1MAPK1
SCHEMBL4407963 0.85 ABL1 (0.48) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL3132807 0.83 ABL1 (0.36) MAPTSMN1; SMN2RAB9AALDH1A1KDM4E
SCHEMBL3253725 0.83 SMN1; SMN2 (0.33) MAPTSMN1; SMN2RAB9ANPC1MAPK1
SCHEMBL3138127 0.83 MEN1 (0.34) MAPTSMN1; SMN2RAB9ANPC1MAPK1
SCHEMBL4839459 0.80 ABL1 (0.44) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL4835843 0.79 MAPT (0.36) MAPTRAB9AMAPK1ABL1RIN1
SCHEMBL4838665 0.79 ABL1 (0.51) MAPTRAB9ANPC1ALDH1A1KDM4E

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 17 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
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 MAPT 4141/4885SMN1; SMN2 1591/4885RAB9A 3709/4885
US-20050283005-A1 PNA monomer and precursor PNISR, RNGTT, POLL MAPT 4291/4885SMN1; SMN2 1665/4885RAB9A 3554/4885
US-20050250785-A1 PNA monomer and precursor PNISR, RNGTT, POLL MAPT 4291/4885SMN1; SMN2 1665/4885RAB9A 3554/4885
US-20030225252-A1 PNA monomer and precursor PNISR, RNGTT, NCL MAPT 4396/4885SMN1; SMN2 1232/4885RAB9A 3709/4885
US-20060008835-A1 PNA monomer and precursor PNISR, RNGTT, POLL MAPT 4291/4885SMN1; SMN2 1665/4885RAB9A 3554/4885
US-20050250786-A1 PNA monomer and precursor PNISR, RNGTT, NPR1 MAPT 4051/4885SMN1; SMN2 1887/4885RAB9A 3805/4885
US-20060003374-A1 Method of making PNA oligomers RNGTT, POLL, PNISR MAPT 4384/4885SMN1; SMN2 1917/4885RAB9A 3626/4885

“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.