SCHEMBL7362869

SCHEMBL7362869

CCOC(=O)C(C)(Cc1ccc(Br)cc1)C(=O)OCC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.59
LMNA P02545 4/20 0.48
ALDH1A1 P00352 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPK1 P28482 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
S1PR4 O95977 1/20 0.45
S1PR1 P21453 1/20 0.45
RECQL P46063 1/20 0.44
HTT P42858 2/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
ABCB11 O95342 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL28737716 0.88 MMP8 (0.60) MMP8LMNAALDH1A1NPSR1SMN1; SMN2
SCHEMBL29277095 0.86 ALDH1A1 (0.48) MMP8LMNAALDH1A1NPSR1SMN1; SMN2
SCHEMBL9395117 0.86 ALDH1A1 (0.55) MMP8LMNAALDH1A1NPSR1SMN1; SMN2
SCHEMBL2370973 0.86 MMP8 (0.59) MMP8LMNAALDH1A1SMN1; SMN2CYP1A2
SCHEMBL5205923 0.85 MMP8 (0.48) MMP8LMNAALDH1A1NPSR1SMN1; SMN2
SCHEMBL6974147 0.85 MMP8 (0.48) MMP8LMNAALDH1A1NPSR1SMN1; SMN2
SCHEMBL5205928 0.85 MMP8 (0.48) MMP8LMNAALDH1A1NPSR1SMN1; SMN2
SCHEMBL28753087 0.85 MMP8 (0.57) MMP8LMNAALDH1A1NPSR1SMN1; SMN2
SCHEMBL458395 0.85 MMP8 (0.57) MMP8LMNAALDH1A1CYP1A2RECQL
SCHEMBL8710582 0.84 MMP8 (0.79) MMP8LMNAALDH1A1NPSR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2683701-B1 OXATHIAZINE DERIVATIVES SUBSTITUTED WITH BENZYL OR HETEROMETHYLENE GROUPS, METHOD FOR THEIR PREPARATION, THEIR USAGE AS MEDICAMENT, MEDICAMENT CONTAINING SAME AND ITS USE SANOFI SA (FR) 2014-12-24 EP disclosed
EP-2683701-B1 OXATHIAZINE DERIVATIVES SUBSTITUTED WITH BENZYL OR HETEROMETHYLENE GROUPS, METHOD FOR THEIR PREPARATION, THEIR USAGE AS MEDICAMENT, MEDICAMENT CONTAINING SAME AND ITS USE SANOFI SA (FR) 2014-12-24 EP disclosed
US-8846666-B2 Oxathiazine derivatives which are substituted with benzyl or heteromethylene groups, method for producing them, their use as medicine and drug containing said derivatives and the use thereof SANOFI (FR) 2014-09-30 US disclosed
US-8846666-B2 Oxathiazine derivatives which are substituted with benzyl or heteromethylene groups, method for producing them, their use as medicine and drug containing said derivatives and the use thereof SANOFI (FR) 2014-09-30 US disclosed
US-8846666-B2 Oxathiazine derivatives which are substituted with benzyl or heteromethylene groups, method for producing them, their use as medicine and drug containing said derivatives and the use thereof SANOFI (FR) 2014-09-30 US disclosed
US-20140066437-A1 OXATHIAZINE DERIVATIVES WHICH ARE SUBSTITUTED WITH BENZYL OR HETEROMETHYLENE GROUPS, METHOD FOR PRODUCING THEM, THEIR USE AS MEDICINE AND DRUG CONTAINING SAID DERIVATIVES AND THE USE THEREOF SANOFI (FR) 2014-03-06 US disclosed
US-20140066437-A1 OXATHIAZINE DERIVATIVES WHICH ARE SUBSTITUTED WITH BENZYL OR HETEROMETHYLENE GROUPS, METHOD FOR PRODUCING THEM, THEIR USE AS MEDICINE AND DRUG CONTAINING SAID DERIVATIVES AND THE USE THEREOF SANOFI (FR) 2014-03-06 US disclosed
US-20140066437-A1 OXATHIAZINE DERIVATIVES WHICH ARE SUBSTITUTED WITH BENZYL OR HETEROMETHYLENE GROUPS, METHOD FOR PRODUCING THEM, THEIR USE AS MEDICINE AND DRUG CONTAINING SAID DERIVATIVES AND THE USE THEREOF SANOFI (FR) 2014-03-06 US disclosed
EP-2683701-A1 OXATHIAZINE DERIVATIVES WHICH ARE SUBSTITUTED WITH BENZYL OR HETEROMETHYLENE GROUPS, METHOD FOR PRODUCING THEM, THEIR USE AS MEDICINE AND DRUG CONTAINING SAID DERIVATIVES AND THE USE THEREOF SANOFI (FR) 2014-01-15 EP disclosed
WO-2012120058-A1 OXATHIAZINE DERIVATIVES WHICH ARE SUBSTITUTED WITH BENZYL OR HETEROMETHYLENE GROUPS, METHOD FOR PRODUCING THEM, THEIR USE AS MEDICINE AND DRUG CONTAINING SAID DERIVATIVES AND THE USE THEREOF SANOFI (FR) 2012-09-13 WO disclosed
WO-2012120058-A1 OXATHIAZINE DERIVATIVES WHICH ARE SUBSTITUTED WITH BENZYL OR HETEROMETHYLENE GROUPS, METHOD FOR PRODUCING THEM, THEIR USE AS MEDICINE AND DRUG CONTAINING SAID DERIVATIVES AND THE USE THEREOF SANOFI (FR) 2012-09-13 WO disclosed
EP-0832082-B1 N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ASTRAZENECA AB (SE) 2001-11-21 EP disclosed
US-6258817-B1 PRODRUGS, HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS ZENECA LTD. (GB) 2001-07-10 US disclosed
US-6060475-A Substituted pyrazin-2-yl-sulphonamide-(3-pyridyl) compounds and uses thereof ZENECA LIMITED (GB) 2000-05-09 US disclosed
US-5866568-A ENDOTHELIN RECEPTOR ANTAGONIST ACTIVITY ZENECA LIMITED (GB) 1999-02-02 US disclosed
EP-0832082-A1 N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1998-04-01 EP disclosed
WO-1996040681-A1 N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1996-12-19 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 (1 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-20140066437-A1 OXATHIAZINE DERIVATIVES WHICH ARE SUBSTITUTED WITH BENZYL OR HETEROMETHYLENE GROUPS, METHOD FOR PRODUCING THEM, THEIR USE AS MEDICINE AND DRUG CONTAINING SAID DERIVATIVES AND THE USE THEREOF SLC5A2, SLC5A1, CYP11B2 MMP8 3334/4885LMNA 4161/4885ALDH1A1 693/4885

“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.