SCHEMBL1688096

SCHEMBL1688096

O=C(CSCCC(=O)ON1C(=O)CCC1=O)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 17/20 0.52
▸ CA1 P00915 16/20 0.52
▸ CA2 P00918 16/20 0.52
▸ CA12 O43570 8/20 0.52
▸ USP2 O75604 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ CA14 Q9ULX7 4/20 0.49
▸ CA7 P43166 2/20 0.48
▸ ADRA1D P25100 1/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ ADRA1B P35368 1/20 0.46
▸ FKBP1A P62942 1/20 0.45

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
SCHEMBL29837449 1.00 CA9 (0.52) CA9CA1CA2CA12USP2
SCHEMBL9906193 0.95 CA9 (0.49) CA9CA1CA2CA12USP2
SCHEMBL9906260 0.95 DNASE1L3 (0.51) CA9CA1CA2CA12USP2
SCHEMBL13678642 0.94 CA9 (0.49) CA9CA1CA2CA12USP2
SCHEMBL14526777 0.89 CA9 (0.56) CA9CA1CA2CA12USP2
SCHEMBL15432797 0.87 CA9 (0.52) CA9CA1CA2CA12USP2
SCHEMBL15372440 0.87 CA9 (0.59) CA9CA1CA2CA12USP2
SCHEMBL1688099 0.87 FOLH1 (0.51) CA9CA1CA2CA12USP2
SCHEMBL14426887 0.86 CA9 (0.39) CA9CA1CA2CA12USP2
SCHEMBL9906320 0.86 USP2 (0.54) CA9CA1CA2CA12USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190254973-A1 COMBINING ORTHOGONAL CHEMISTRIES FOR PREPARATION OF MULTIPLEXED NANOPARTICLES VERILY LIFE SCIENCES LLC (US) 2019-08-22 — — US disclosed
US-10203334-B2 Methods and compositions related to nucleic acid binding assays Nubad, LLC (US) 2019-02-12 — — US disclosed
EP-1673399-B1 DETECTING AND PROFILING MOLECULAR COMPLEXES MONOGRAM BIOSCIENCES INC (US) 2017-04-05 — — EP disclosed
US-20160282357-A1 METHODS AND COMPOSITIONS RELATED TO NUCLEIC ACID BINDING ASSAYS Nubad, LLC 2016-09-29 — — US disclosed
US-20160282357-A1 METHODS AND COMPOSITIONS RELATED TO NUCLEIC ACID BINDING ASSAYS Nubad, LLC 2016-09-29 — — US disclosed
US-9410186-B2 Methods and compositions related to nucleic acid binding assays NUBAD LLC (US) 2016-08-09 — — US disclosed
US-9410186-B2 Methods and compositions related to nucleic acid binding assays NUBAD LLC (US) 2016-08-09 — — US disclosed
US-9110075-B2 Compositions for analyzing proteins MONOGRAM BIOSCIENCES, INC. (US) 2015-08-18 — — US disclosed
US-9024022-B2 Substrates of O6-alkylguanine-DNA alkyltransferase and mutants thereof CIS BIO INTERNATIONAL (FR) 2015-05-05 — — US disclosed
US-9024022-B2 Substrates of O6-alkylguanine-DNA alkyltransferase and mutants thereof CIS BIO INTERNATIONAL (FR) 2015-05-05 — — US disclosed
US-8198031-B2 Using epidermal growth factor receptor complexes to diagnose and prognose health in cancer patients; drug screening MONOGRAM BIOSCIENCES, INC. (US) 2012-06-12 — — US disclosed
US-20120088307-A1 Methods and Compositions for Analyzing Proteins MONOGRAM BIOSCIENCES, INC. (US) 2012-04-12 — — US disclosed
US-20110236952-A1 NOVEL SUBSTRATES OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE AND MUTANTS THEREOF CIS BIO INTERNATIONAL (FR) 2011-09-29 — — US disclosed
US-20110236952-A1 NOVEL SUBSTRATES OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE AND MUTANTS THEREOF CIS BIO INTERNATIONAL (FR) 2011-09-29 — — US disclosed
US-20110014714-A1 METHOD FOR SELECTIVE LABELING OF PROTEIN PRODUCED BY IN VITRO TRANSLATION BY USING A MARKER FROM TRNA PREPARED BY USING IN VITRO TRANSCRIPTION INTRON BIOTECHNOLOGY, INC. (KR) 2011-01-20 — — US disclosed
US-20090173631-A1 Single Cell Analysis of Membrane Molecules ACLARA BIOSCIENCES, INC. 2009-07-09 — — US disclosed
US-20080311674-A1 METHODS AND COMPOSITIONS FOR ANALYZING PROTEINS MONOGRAM BIOSCIENCES, INC. (US) 2008-12-18 — — US disclosed
US-20080233602-A1 Detecting and profiling molecular complexes MONOGRAM BIOSCIENCES, INC. 2008-09-25 — — US disclosed
US-7255999-B2 Detection of preferential polypetide in sample; otain sample containing preferential polyeptide, electrophorese, incubate with probe, detect signal from probe and recover polypeptide MONOGRAM BIOSCIENCES, INC. (US) 2007-08-14 — — US disclosed
US-7160735-B2 Tagged microparticle compositions and methods MONOGRAM BIOSCIENCES, INC. (US) 2007-01-09 — — 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-20190254973-A1 COMBINING ORTHOGONAL CHEMISTRIES FOR PREPARATION OF MULTIPLEXED NANOPARTICLES CD47, AGO2, EEA1 CA9 3215/4885CA1 3496/4885CA2 4246/4885
US-20110236952-A1 NOVEL SUBSTRATES OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE AND MUTANTS THEREOF OGG1, UNG, MPG CA9 3630/4885CA1 4446/4885CA2 4139/4885
US-20110014714-A1 METHOD FOR SELECTIVE LABELING OF PROTEIN PRODUCED BY IN VITRO TRANSLATION BY USING A MARKER FROM TRNA PREPARED BY USING IN VITRO TRANSCRIPTION TARBP1, NSUN3, TRMT1 CA9 4854/4885CA1 4879/4885CA2 4872/4885

“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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