SCHEMBL4842968

SCHEMBL4842968

CSCCOC(=O)Nc1ccn(CC(=O)N(CCNS(=O)(=O)c2nc3ccccc3s2)CC(=O)O)c(=O)n1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
ABL1 P00519 2/20 0.34
RIN1 Q13671 2/20 0.34
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
STAT1 P42224 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
CA1 P00915 8/20 0.31
CA2 P00918 8/20 0.31
CYP2C9 P11712 1/20 0.30
CA4 P22748 2/20 0.30
MAPK1 P28482 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
SCHEMBL3137660 0.93 MAPT (0.37) MAPTABL1RIN1RAB9ANPC1
SCHEMBL4839459 0.86 ABL1 (0.44) MAPTABL1RIN1RAB9ANPC1
SCHEMBL4835843 0.85 MAPT (0.36) MAPTABL1RIN1RAB9ACA1
SCHEMBL4838665 0.85 ABL1 (0.51) MAPTABL1RIN1RAB9ANPC1
SCHEMBL4838306 0.82 PDE4A (0.32) RAB9ANPC1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL4835790 0.82 MEN1 (0.34)
SCHEMBL4838083 0.82 ABL1 (0.38) MAPTABL1RIN1RAB9ANPC1
SCHEMBL3136193 0.81 MAPT (0.37) MAPTABL1RIN1RAB9ANPC1
SCHEMBL3132617 0.80 ABL1 (0.41) MAPTABL1RIN1RAB9ANPC1
SCHEMBL4838098 0.80 KDM4E (0.37) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1

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 MAPT 4141/4885ABL1 2319/4885RIN1 2045/4885
US-20050283005-A1 PNA monomer and precursor PNISR, RNGTT, POLL MAPT 4291/4885ABL1 2566/4885RIN1 1880/4885
US-20050250785-A1 PNA monomer and precursor PNISR, RNGTT, POLL MAPT 4291/4885ABL1 2566/4885RIN1 1880/4885
US-20030225252-A1 PNA monomer and precursor PNISR, RNGTT, NCL MAPT 4396/4885ABL1 2254/4885RIN1 1765/4885
US-20060008835-A1 PNA monomer and precursor PNISR, RNGTT, POLL MAPT 4291/4885ABL1 2566/4885RIN1 1880/4885
US-20050250786-A1 PNA monomer and precursor PNISR, RNGTT, NPR1 MAPT 4051/4885ABL1 1741/4885RIN1 2592/4885
US-20060003374-A1 Method of making PNA oligomers RNGTT, POLL, PNISR MAPT 4384/4885ABL1 2667/4885RIN1 1999/4885

“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.