SCHEMBL4846244

SCHEMBL4846244

O=C(O)CNCCNS(=O)(=O)c1cc2ccccc2o1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.46
MMP14 P50281 1/20 0.46
CA2 P00918 1/20 0.46
ALDH1A1 P00352 2/20 0.42
CCR2 P41597 9/20 0.42
BCAT1 P54687 1/20 0.41
TBXA2R P21731 1/20 0.41

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
SCHEMBL1926052 0.88 MMP2 (0.56) MMP2MMP14CA2ALDH1A1CCR2
SCHEMBL3134597 0.77 ALDH1A1 (0.47) CA2ALDH1A1TBXA2R
SCHEMBL16985239 0.75 ALDH1A1 (0.55) MMP2MMP14CA2ALDH1A1CCR2
SCHEMBL1924635 0.74 CCR2 (0.46) CA2CCR2BCAT1
SCHEMBL8232257 0.73 CA2 (0.61) CA2CCR2BCAT1
SCHEMBL3134608 0.72 TPSAB1 (0.58) CA2ALDH1A1CCR2
SCHEMBL18233474 0.71 ATM (0.44) MMP2MMP14CA2ALDH1A1CCR2
SCHEMBL10534704 0.71 CA2 (0.58) CA2CCR2BCAT1
SCHEMBL8799952 0.70 APEX1 (0.38) MMP2MMP14ALDH1A1
SCHEMBL16002891 0.70 CA2 (0.61) CA2CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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 (5 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 MMP2 3914/4885MMP14 4720/4885CA2 3213/4885
US-20050283005-A1 PNA monomer and precursor PNISR, RNGTT, POLL MMP2 4269/4885MMP14 4740/4885CA2 3950/4885
US-20030225252-A1 PNA monomer and precursor PNISR, RNGTT, NCL MMP2 4106/4885MMP14 4815/4885CA2 3930/4885
US-20050250786-A1 PNA monomer and precursor PNISR, RNGTT, NPR1 MMP2 4454/4885MMP14 4795/4885CA2 3782/4885
US-20060003374-A1 Method of making PNA oligomers RNGTT, POLL, PNISR MMP2 4167/4885MMP14 4790/4885CA2 3612/4885

“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.