SCHEMBL3137645

SCHEMBL3137645

O=S(=O)(Cl)c1cc2ccccc2s1.O=S(=O)(Cl)c1nc2ccccc2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.46
AKR1B1 P15121 1/20 0.39
MAPT P10636 6/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
ALDH1A1 P00352 3/20 0.37
TP53 P04637 3/20 0.37
LMNA P02545 3/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.37
CCR2 P41597 1/20 0.36
HSPD1 P10809 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN5 P54829 1/20 0.36
HSPE1 P61604 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
GALK1 P51570 1/20 0.36
GAA P10253 3/20 0.35
KDM4E B2RXH2 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
SCHEMBL3136339 0.82 MAPT (0.46) MAPTSMN1; SMN2ALDH1A1TP53LMNA
SCHEMBL743918 0.80 CA2 (0.67) CA2AKR1B1CCR2
SCHEMBL329398 0.67 MAPT (0.47) MAPTSMN1; SMN2ALDH1A1TP53LMNA
SCHEMBL25119616 0.67 CA2 (0.67) CA2AKR1B1CCR2PSMB8
SCHEMBL329294 0.67 CA2 (0.71) CA2AKR1B1CCR2
SCHEMBL29742225 0.66 IKBKB (0.51) MAPTSMN1; SMN2ALDH1A1TP53LMNA
SCHEMBL19961702 0.66 IKBKB (0.51) MAPTSMN1; SMN2ALDH1A1TP53LMNA
SCHEMBL305334 0.66 LMNA (0.53) MAPTSMN1; SMN2ALDH1A1TP53LMNA
SCHEMBL329399 0.66 MAPT (0.46) MAPTSMN1; SMN2ALDH1A1TP53LMNA
SCHEMBL31665885 0.66 MAPT (0.46) MAPTSMN1; SMN2ALDH1A1TP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 (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 CA2 3213/4885AKR1B1 2272/4885MAPT 4141/4885
US-20050283005-A1 PNA monomer and precursor PNISR, RNGTT, POLL CA2 3950/4885AKR1B1 735/4885MAPT 4291/4885
US-20050250785-A1 PNA monomer and precursor PNISR, RNGTT, POLL CA2 3950/4885AKR1B1 735/4885MAPT 4291/4885
US-20030225252-A1 PNA monomer and precursor PNISR, RNGTT, NCL CA2 3930/4885AKR1B1 1148/4885MAPT 4396/4885
US-20060008835-A1 PNA monomer and precursor PNISR, RNGTT, POLL CA2 3950/4885AKR1B1 735/4885MAPT 4291/4885
US-20050250786-A1 PNA monomer and precursor PNISR, RNGTT, NPR1 CA2 3782/4885AKR1B1 426/4885MAPT 4051/4885
US-20060003374-A1 Method of making PNA oligomers RNGTT, POLL, PNISR CA2 3612/4885AKR1B1 627/4885MAPT 4384/4885

“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.