SCHEMBL8415518

SCHEMBL8415518

O=C(O)CS(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.67
PKM P14618 1/20 0.60
MMP2 P08253 2/20 0.58
MMP7 P09237 1/20 0.58
MMP14 P50281 1/20 0.58
CA1 P00915 6/20 0.50
CA2 P00918 6/20 0.50
CA9 Q16790 5/20 0.50
CA4 P22748 4/20 0.50
CA12 O43570 4/20 0.50
CA14 Q9ULX7 4/20 0.50
CA3 P07451 3/20 0.50
CA6 P23280 3/20 0.50
CA5A P35218 3/20 0.50
CA7 P43166 3/20 0.50
CA13 Q8N1Q1 3/20 0.50
CA5B Q9Y2D0 3/20 0.50
MMP1 P03956 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50

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
Ammonia Solution, Strong SCHEMBL8416593 0.98 HSD11B1 (0.65) HSD11B1PKMMMP2MMP7MMP14
Guanidine SCHEMBL8415495 0.92 HSD11B1 (0.58) HSD11B1PKMMMP2MMP7MMP14
SCHEMBL10991739 0.84 PKM (0.63) HSD11B1PKMMMP2CA1CA2
SCHEMBL7861808 0.82 HTT (0.57) HSD11B1PKMMMP2CA1CA2
SCHEMBL28538245 0.82 HSD11B1 (0.91) HSD11B1PKMCA1CA2CA9
SCHEMBL3166376 0.81 HSD11B1 (0.50) HSD11B1PKMMMP2CA1CA2
SCHEMBL6908652 0.80 HSD11B1 (1.00) HSD11B1PKMCA1CA2CA9
Tetramethylammonium Ion SCHEMBL8418460 0.80 PKM (0.58) HSD11B1PKMMMP2CA1CA2
SCHEMBL17550644 0.80 POLB (0.60) HSD11B1PKMMMP2CA1CA2
Tetramethylammonium Ion SCHEMBL8416583 0.80 PKM (0.58) HSD11B1PKMMMP2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017156181-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-09-14 WO disclosed
WO-2017156181-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-09-14 WO disclosed
US-20140142074-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2014-05-22 US disclosed
US-20140142074-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2014-05-22 US disclosed
EP-2619185-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP disclosed
EP-2619177-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP disclosed
US-20130079313-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-03-28 US disclosed
US-20130079313-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-03-28 US disclosed
WO-2012038942-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 WO disclosed
WO-2012038943-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 WO disclosed
EP-0659581-B1 Stabilized thermal-dye-bleach constructions MINNESOTA MINING & MFG (US) 1997-10-15 EP disclosed
EP-0659581-A2 Stabilized thermal-dye-bleach constructions MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-06-28 EP disclosed
US-5395747-A Polylactones as stabilizers in antihalation systems where an anion is thermally generated to decolor dyes formed by scattered light MINNESOTA MINING & MANUFACTURING COMPANY (US) 1995-03-07 US disclosed
US-5384237-A Quaternary-ammonium phenylsulfonylacetate thermal-dye-bleach agents MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-01-24 US disclosed
EP-0605285-A1 Tetra-alkylammonium phenylsulfonylacetate thermal-dye-bleach agents MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-07-06 EP disclosed
EP-0605286-A1 Thermal-dye-bleach construction MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-07-06 EP disclosed
US-5324627-A Thermal carbanion generating agent MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-06-28 US disclosed
US-5314795-A Thermal-dye-bleach construction comprising a polymethine dye and a thermal carbanion-generating agent MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-05-24 US disclosed
EP-0571906-A2 Thermal dye bleach construction MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-12-01 EP disclosed
US-5258274-A Alkoxystyryl substituted indolinium dye and thermal nucleophile-generating agent; photography MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-11-02 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 (2 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-20130079313-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE3A HSD11B1 170/4885PKM 717/4885MMP2 108/4885
US-20140142074-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE3A HSD11B1 170/4885PKM 717/4885MMP2 108/4885

“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.