SCHEMBL3434446

SCHEMBL3434446

CCCCCCCCC([O])(OS(=O)(=O)c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
ABCB1 P08183 4/20 0.36
ABCC1 P33527 3/20 0.36
HSP90AA1 P07900 1/20 0.35
PTGS2 P35354 1/20 0.34
EPHX2 P34913 1/20 0.34
ALPL P05186 1/20 0.33
ALPI P09923 1/20 0.33

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
SCHEMBL2875043 0.77 TDP1 (0.39) ALDH1A1TSHRTDP1ABCB1ABCC1
SCHEMBL28412955 0.76 TDP1 (0.41) CA12CA1CA2CA4CA5A
SCHEMBL464892 0.75 CA12 (0.41) CA12CA1CA2CA4CA5A
SCHEMBL7154403 0.69 ALDH1A1 (0.38) CA12CA1CA2CA4CA5A
SCHEMBL28045237 0.69 RECQL (0.46) CA12CA1CA2CA4CA5A
SCHEMBL2057427 0.69 ABCB1 (0.43) CA12CA1CA2CA4CA5A
Ammonia Solution, Strong SCHEMBL30339155 0.68 ABCB1 (0.48) CA12CA1CA2CA4CA5A
SCHEMBL10980604 0.68 HSP90AA1 (0.45) ALDH1A1HSP90AA1EPHX2
SCHEMBL896258 0.68 HSP90AA1 (0.43) ALDH1A1TSHRHSP90AA1EPHX2
SCHEMBL8579302 0.68 HSP90AA1 (0.43) ALDH1A1TSHRHSP90AA1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150232490-A1 INTERMEDIATES FOR THE PREPARATION OF ANALOGS OF HALICHONDRIN B EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-08-20 US disclosed
US-20150037271-A1 Methods for Fixing Hair and Skin LIQWD, INC. (US) 2015-02-05 US disclosed
US-8884031-B2 Intermediates for the preparation of analogs of halichondrin B EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-11-11 US disclosed
US-8785440-B2 Bruton's tyrosine kinase inhibitors BIOGEN IDEC MA, INC. (US) 2014-07-22 US disclosed
US-8778877-B2 HCV protease inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2014-07-15 US disclosed
US-20140163242-A1 INTERMEDIATES FOR THE PREPARATION OF ANALOGS OF HALICHONDRIN B EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-12 US disclosed
US-8609679-B2 2,4-diaminopyrimidines useful as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2013-12-17 US disclosed
US-20130165462-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-06-27 US disclosed
US-8293705-B2 HCV protease inhibitors and uses thereof AVILA THERAPEUTICS, INC. (US) 2012-10-23 US disclosed
US-8207353-B2 Poly(ethylene glycol) containing chemically disparate endgroups INTEZYNE TECHNOLOGIES, INC. (US) 2012-06-26 US disclosed
US-20120157443-A1 BRUTON'S TYROSINE KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2012-06-21 US disclosed
US-8188137-B2 HCV protease inhibitors and uses thereof AVILA THERAPEUTICS, INC. (US) 2012-05-29 US disclosed
US-20100280252-A1 POLY(ETHYLENE GLYCOL) CONTAINING CHEMICALLY DISPARATE ENDGROUPS INTEZYNE TECHNOLOGIES (US) 2010-11-04 US disclosed
US-7799339-B2 Copolymer of crosslinkable or crosslinked poly(amino acid block), and a hydrophobic D,L-mixed poly(amino acid) block; an inner core, crosslinked outer core, a hydrophilic shell; improved in vivo circulation time; drug delivery INTEZYNE TECHNOLOGIES, INC. (US) 2010-09-21 US disclosed
US-20100041591-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-02-18 US disclosed
US-20100041674-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-02-18 US disclosed
US-7601796-B2 polyamideether copolymer has a hydrophilic polyethylene glycol and a hydrophobic polyamino acid blocks; modified polyethylene glycol homopolymer; forming conjugate polymer drug; resin peptides; use in pharmaceutically acceptable compositions INTEZYNE TECHNOLOGIES, INC. (US) 2009-10-13 US disclosed
US-20090176858-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-07-09 US disclosed
US-20080274173-A1 Copolymer of crosslinkable or crosslinked poly(amino acid block), and a hydrophobic D,L-mixed poly(amino acid) block; an inner core, crosslinked outer core, a hydrophilic shell; improved in vivo circulation time; drug delivery INTEZYNE TECHNOLOGIES, INC. (US) 2008-11-06 US disclosed
US-20060172914-A1 Synthesis of hybrid block copolymers and uses thereof INTEZYNE TECHNOLOGIES, INC. 2006-08-03 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 (10 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-20100280252-A1 POLY(ETHYLENE GLYCOL) CONTAINING CHEMICALLY DISPARATE ENDGROUPS GNE, EPRS1, ALG1 CA12 1126/4885CA1 2195/4885CA2 3187/4885
US-20090176858-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC CA12 2068/4885CA1 3888/4885CA2 3859/4885
US-20120157443-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK CA12 4510/4885CA1 4409/4885CA2 2659/4885
US-20150037271-A1 Methods for Fixing Hair and Skin CUTA, SUCLG1, TST CA12 2214/4885CA1 859/4885CA2 1286/4885
US-20080274173-A1 Copolymer of crosslinkable or crosslinked poly(amino acid block), and a hydrophobic D,L-mixed poly(amino acid) block; an inner core, crosslinked outer core, a hydrophilic shell; improved in vivo circulation time; drug delivery CLTB, SLC1A5, CLTA CA12 1172/4885CA1 715/4885CA2 1865/4885
US-20130165462-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 CA12 1714/4885CA1 4107/4885CA2 3325/4885
US-20100041674-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC CA12 2068/4885CA1 3888/4885CA2 3859/4885
US-20100041591-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC CA12 2068/4885CA1 3888/4885CA2 3859/4885
US-20150232490-A1 INTERMEDIATES FOR THE PREPARATION OF ANALOGS OF HALICHONDRIN B DHPS, BMP2, CDK11B CA12 1877/4885CA1 2999/4885CA2 3556/4885
US-20140163242-A1 INTERMEDIATES FOR THE PREPARATION OF ANALOGS OF HALICHONDRIN B DHPS, BMP2, CDK11B CA12 1877/4885CA1 2999/4885CA2 3556/4885

“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.