SCHEMBL4835843

SCHEMBL4835843

O=C(O)CN(CCNS(=O)(=O)c1nc2ccccc2s1)C(=O)Cn1ccc(NC(=O)OC(c2ccccc2)c2ccccc2)nc1=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
CASR P41180 1/20 0.31
CA1 P00915 9/20 0.31
CA2 P00918 9/20 0.31
ACP1 P24666 1/20 0.31
PTPN7 P35236 1/20 0.31
PTPN12 Q05209 1/20 0.31
PTPN13 Q12923 1/20 0.31
SSU72 Q9NP77 1/20 0.31
CA4 P22748 2/20 0.31
ABL1 P00519 1/20 0.31
RIN1 Q13671 1/20 0.31
RAB9A P51151 1/20 0.31
MAPK1 P28482 1/20 0.31
CSNK1D P48730 1/20 0.30
NCS1 P62166 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
SCHEMBL3136193 0.93 MAPT (0.37) MAPTACP1ABL1RIN1RAB9A
SCHEMBL21525098 0.89 MAPT (0.33) MAPTACP1PTPN7PTPN12PTPN13
SCHEMBL21525036 0.89 MAPT (0.33) MAPTACP1PTPN7PTPN12PTPN13
SCHEMBL4842968 0.85 MAPT (0.37) MAPTCA1CA2CA4ABL1
SCHEMBL4839459 0.84 ABL1 (0.44) MAPTABL1RIN1RAB9A
SCHEMBL4838665 0.83 ABL1 (0.51) MAPTABL1RIN1RAB9A
SCHEMBL3819625 0.82 F13A1 (0.40) MAPT
SCHEMBL4838426 0.82 PDE4A (0.32)
SCHEMBL4843329 0.81 TK1 (0.32)
SCHEMBL4838098 0.81 KDM4E (0.37) MAPTRAB9A

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 4141/4885CASR 1075/4885CA1 2957/4885
US-20050283005-A1 PNA monomer and precursor PNISR, RNGTT, POLL MAPT 4291/4885CASR 1408/4885CA1 2552/4885
US-20050250785-A1 PNA monomer and precursor PNISR, RNGTT, POLL MAPT 4291/4885CASR 1408/4885CA1 2552/4885
US-20030225252-A1 PNA monomer and precursor PNISR, RNGTT, NCL MAPT 4396/4885CASR 1394/4885CA1 2094/4885
US-20060008835-A1 PNA monomer and precursor PNISR, RNGTT, POLL MAPT 4291/4885CASR 1408/4885CA1 2552/4885
US-20050250786-A1 PNA monomer and precursor PNISR, RNGTT, NPR1 MAPT 4051/4885CASR 1338/4885CA1 2968/4885
US-20060003374-A1 Method of making PNA oligomers RNGTT, POLL, PNISR MAPT 4384/4885CASR 1632/4885CA1 2761/4885

“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.