SCHEMBL12192027

SCHEMBL12192027

NNC(=O)CSCC(=O)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 17/20 0.62
▸ CA1 P00915 16/20 0.62
▸ CA2 P00918 16/20 0.62
▸ USP2 O75604 2/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ CA12 O43570 7/20 0.60
▸ CA14 Q9ULX7 3/20 0.59
▸ CA7 P43166 2/20 0.57
▸ MEN1 O00255 1/20 0.53
▸ ALPL P05186 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ ALPI P09923 1/20 0.53
▸ ALPG P10696 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ DNASE1L3 Q13609 1/20 0.52
▸ PRMT1 Q99873 1/20 0.52

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
SCHEMBL14401673 0.90 CA9 (0.61) CA9CA1CA2USP2L3MBTL1
SCHEMBL14297780 0.90 CA9 (0.59) CA9CA1CA2USP2L3MBTL1
SCHEMBL15372440 0.89 CA9 (0.59) CA9CA1CA2USP2L3MBTL1
SCHEMBL15145504 0.89 CA9 (0.63) CA9CA1CA2USP2L3MBTL1
SCHEMBL14426895 0.87 USP2 (0.68) CA9CA1CA2USP2L3MBTL1
SCHEMBL14526777 0.86 CA9 (0.56) CA9CA1CA2USP2L3MBTL1
5-Iodoacetamidofluorescein SCHEMBL10146553 0.86 CA9 (0.66) CA9CA1CA2USP2L3MBTL1
SCHEMBL14527509 0.86 CA9 (0.66) CA9CA1CA2USP2L3MBTL1
SCHEMBL12793932 0.86 CA9 (0.66) CA9CA1CA2USP2L3MBTL1
SCHEMBL412012 0.85 CA9 (0.78) CA9CA1CA2USP2L3MBTL1

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3079657-B1 PREPARATION FOR PREVENTION AND/OR TREATMENT OF PERI-IMPLANTITIS RLS GLOBAL AB (SE) 2019-03-20 — — EP disclosed
US-9642780-B2 Detection and removal of carious dentin tissue RLS GLOBAL AB (SE) 2017-05-09 — — US disclosed
US-9642780-B2 Detection and removal of carious dentin tissue RLS GLOBAL AB (SE) 2017-05-09 — — US disclosed
US-20160310525-A1 PREPARATION FOR PREVENTION AND/OR TREATMENT OF PERI-IMPLANTITIS RLS GLOBAL AB (SE) 2016-10-27 — — US disclosed
US-20160310525-A1 PREPARATION FOR PREVENTION AND/OR TREATMENT OF PERI-IMPLANTITIS RLS GLOBAL AB (SE) 2016-10-27 — — US disclosed
US-20150313801-A1 DETECTION OF CARIOUS DENTIN TISSUE AND REMOVAL THEREOF BY MEANS OF A DENTAL INSTRUMENT RLS GLOBAL AB (SE) 2015-11-05 — — US disclosed
US-20150313801-A1 DETECTION OF CARIOUS DENTIN TISSUE AND REMOVAL THEREOF BY MEANS OF A DENTAL INSTRUMENT RLS GLOBAL AB (SE) 2015-11-05 — — US disclosed
EP-2925275-A2 DETECTION OF CARIOUS DENTIN TISSUE AND REMOVAL THEREOF BY MEANS OF A DENTAL INSTRUMENT RLS GLOBAL AB (SE) 2015-10-07 — — EP disclosed
WO-2015086535-A1 PREPARATION FOR PREVENTION AND/OR TREATMENT OF PERI-IMPLANTITIS RLS GLOBAL AB (SE) 2015-06-18 — — WO disclosed
US-20140161745-A1 DETECTION AND REMOVAL OF CARIOUS DENTIN TISSUE RLS GLOBAL AB (SE) 2014-06-12 — — US disclosed
US-20070172915-A1 Glycoprotein synthesis THE SCRIPPS RESEARCH INSTITUTE (US) 2007-07-26 — — US disclosed
US-20070172915-A1 Glycoprotein synthesis THE SCRIPPS RESEARCH INSTITUTE (US) 2007-07-26 — — US disclosed
US-7238510-B2 Glycoprotein synthesis THE SCRIPPS RESEARCH INSTITUTE (US) 2007-07-03 — — US disclosed
US-7238510-B2 Glycoprotein synthesis THE SCRIPPS RESEARCH INSTITUTE (US) 2007-07-03 — — US disclosed
US-7217809-B2 Glycoprotein synthesis THE SCRIPPS RESEARCH INSTITUTE (US) 2007-05-15 — — US disclosed
US-7217809-B2 Glycoprotein synthesis THE SCRIPPS RESEARCH INSTITUTE (US) 2007-05-15 — — US disclosed
US-7199222-B2 An artificial mutant tRNA synthetase; aminoacylates an orthogonal tRNA with beta -GlcNAc-serine THE SCRIPPS RESEARCH INSTITUTE (US) 2007-04-03 — — US disclosed
US-7199222-B2 An artificial mutant tRNA synthetase; aminoacylates an orthogonal tRNA with beta -GlcNAc-serine THE SCRIPPS RESEARCH INSTITUTE (US) 2007-04-03 — — US disclosed
US-7183082-B2 Glycoprotein synthesis THE SCRIPPS RESEARCH INSTITUTE (US) 2007-02-27 — — US disclosed
US-7183082-B2 Glycoprotein synthesis THE SCRIPPS RESEARCH INSTITUTE (US) 2007-02-27 — — 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 (3 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-20160310525-A1 PREPARATION FOR PREVENTION AND/OR TREATMENT OF PERI-IMPLANTITIS KIT, CXCL8, GCG CA9 1333/4885CA1 1065/4885CA2 2084/4885
US-20140161745-A1 DETECTION AND REMOVAL OF CARIOUS DENTIN TISSUE CTRL, KLK5, KLK1 CA9 36/4885CA1 6/4885CA2 18/4885
US-20150313801-A1 DETECTION OF CARIOUS DENTIN TISSUE AND REMOVAL THEREOF BY MEANS OF A DENTAL INSTRUMENT NUCB2, HRH2, DACH1 CA9 420/4885CA1 475/4885CA2 571/4885

“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.

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