SCHEMBL3139946

SCHEMBL3139946

CC(C)(C)OC(=O)N(CCNS(=O)(=O)c1nc2cc(Cl)ccc2s1)CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ALOX5 P09917 2/20 0.37
CA1 P00915 5/20 0.36
CA2 P00918 5/20 0.36
F10 P00742 1/20 0.36
CA4 P22748 2/20 0.35

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
SCHEMBL3140234 0.87 PAX8 (0.42) CA1CA2CA4
SCHEMBL3133683 0.82 POLB (0.38)
SCHEMBL4418672 0.79 PPARG (0.37) PPARAHDAC6
SCHEMBL3814168 0.75 MAPT (0.40)
SCHEMBL4412533 0.75 POLB (0.31) PPARA
SCHEMBL4413549 0.75 CA1 (0.33) CA1CA2CA4
SCHEMBL3130012 0.71 PAX8 (0.41) HDAC6ALOX5CA1CA2CA4
SCHEMBL3130020 0.71 PAX8 (0.41) HDAC6ALOX5CA1CA2CA4
SCHEMBL3134285 0.70 PPARA (0.44) PPARAALOX5CA1CA2F10
SCHEMBL3136533 0.70 CA2 (0.42) PPARAALOX5CA1CA2F10

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 21 patents — showing the first 20. 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-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
CN-1659153-A PNA monomer and precursor PANAGENE INC (KR) 2005-08-24 CN 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 (6 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-20050283005-A1 PNA monomer and precursor PNISR, RNGTT, POLL PPARA 2025/4885HDAC6 3780/4885ALOX5 3031/4885
US-20050250785-A1 PNA monomer and precursor PNISR, RNGTT, POLL PPARA 2025/4885HDAC6 3780/4885ALOX5 3031/4885
US-20030225252-A1 PNA monomer and precursor PNISR, RNGTT, NCL PPARA 1996/4885HDAC6 3591/4885ALOX5 3126/4885
US-20060008835-A1 PNA monomer and precursor PNISR, RNGTT, POLL PPARA 2025/4885HDAC6 3780/4885ALOX5 3031/4885
US-20050250786-A1 PNA monomer and precursor PNISR, RNGTT, NPR1 PPARA 1850/4885HDAC6 3735/4885ALOX5 2464/4885
US-20060003374-A1 Method of making PNA oligomers RNGTT, POLL, PNISR PPARA 2040/4885HDAC6 2968/4885ALOX5 2181/4885

“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.