SCHEMBL2397437

SCHEMBL2397437

COc1ccc(S(=O)(=O)CC(=O)O)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
HSD11B1 P28845 1/20 0.49
CA12 O43570 2/20 0.49
CA9 Q16790 2/20 0.49
MMP2 P08253 1/20 0.49
MMP7 P09237 1/20 0.49
MMP14 P50281 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
PAX8 Q06710 1/20 0.48
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA7 P43166 1/20 0.47
TPMT P51580 1/20 0.47

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
SCHEMBL2397242 0.87 TSHR (0.58) POLBTSHRMAPK1HSD11B1CA12
SCHEMBL2397244 0.85 MAPK1 (0.56) POLBTSHRMAPK1HSD11B1CA12
SCHEMBL20892712 0.80 MAPK1 (0.68) POLBTSHRMAPK1CA12CA9
SCHEMBL19056858 0.78 MMP2 (0.48) MMP2MMP7MMP14FFAR1PDE4D
SCHEMBL7031880 0.78 MAPK1 (0.59) POLBTSHRMAPK1CA12CA9
SCHEMBL14798277 0.78 POLB (0.54) POLBTSHRMAPK1CA12CA9
SCHEMBL14612480 0.77 MAPK1 (0.63) POLBTSHRMAPK1CA12CA9
SCHEMBL4592282 0.77 HTT (0.70) POLBHSD11B1MMP2MMP7MMP14
SCHEMBL10202538 0.75 HSD11B1 (0.65) POLBHSD11B1MMP2MMP7MMP14
SCHEMBL5809527 0.75 MAPK1 (0.59) POLBTSHRMAPK1CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2542549-B1 INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2016-05-11 EP disclosed
US-9181233-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-11-10 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
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-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
EP-2542549-A2 INHIBITORS OF GLUTAMINYL CYCLASE Probiodrug AG (DE) 2013-01-09 EP disclosed
US-20110224259-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-09-15 US disclosed
WO-2011107530-A2 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-09-09 WO disclosed
EP-0871439-B1 SUBSTITUTED (ARYL, HETEROARYL, ARYLMETHYL OR HETEROARYLMETHYL) HYDROXAMIC ACID COMPOUNDS AVENTIS PHARMA INC (US) 2004-03-31 EP disclosed
US-6057369-A USE IN THE TREATMENT OF DISEASE STATES ASSOCIATED WITH PROTEINS THAT MEDIATE CELLULAR ACTIVITY WHICH ARE CAPABLE OF BEING MODULATED BY INHIBITING A MATRIX METALLOPROTEINASE (MMP), TUMOR NECROSIS FACTOR (TNF) OR CYCLIC AMP RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 2000-05-02 US disclosed
EP-0871439-A4 SUBSTITUTED (ARYL, HETEROARYL, ARYLMETHYL OR HETEROARYLMETHYL) HYDROXAMIC ACID COMPOUNDS RHONE POULENC RORER PHARMA (US) 1999-07-21 EP disclosed
EP-0871439-A1 SUBSTITUTED (ARYL, HETEROARYL, ARYLMETHYL OR HETEROARYLMETHYL) HYDROXAMIC ACID COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1998-10-21 EP disclosed
WO-1997024117-A1 SUBSTITUTED (ARYL, HETEROARYL, ARYLMETHYL OR HETEROARYLMETHYL) HYDROXAMIC ACID COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-07-10 WO 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-20130079313-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE3A POLB 739/4885TSHR 3555/4885MAPK1 1285/4885
US-20110224259-A1 NOVEL INHIBITORS QPCT, GLUL, GLS POLB 1661/4885TSHR 3747/4885MAPK1 3093/4885
US-20140142074-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE3A POLB 739/4885TSHR 3555/4885MAPK1 1285/4885

“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.