SCHEMBL5355083

SCHEMBL5355083

O=[N+]([O-])c1ccc(NS(=O)(=O)CCCCl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.54
CA1 P00915 3/20 0.54
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
CA4 P22748 1/20 0.50
CA7 P43166 1/20 0.50
MAPT P10636 3/20 0.46
FKBP1A P62942 1/20 0.46
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP3A4 P08684 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PKM P14618 1/20 0.42
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL11183908 0.81 CA2 (0.59) CA2CA1CA12CA9CA4
SCHEMBL7223669 0.79 CA2 (0.52) CA2CA1CA12CA9CA4
SCHEMBL17242669 0.79 MCL1 (0.45) CA2CA1CA12CA9MAPT
SCHEMBL6752171 0.78 CA1 (0.50) CA2CA1CA12CA9CA4
SCHEMBL5358411 0.77 NHERF1 (0.53) MAPTKMT2AMEN1ALDH1A1CYP3A4
SCHEMBL6327481 0.77 CA2 (0.53) CA2CA1CA12CA9CA4
SCHEMBL16416491 0.77 CA2 (0.48) CA2CA1CA12CA9CA4
SCHEMBL980565 0.77 CA1 (0.48) CA2CA1CA12CA9CA4
SCHEMBL5050119 0.77 CA1 (0.48) CA2CA1CA12CA9CA4
SCHEMBL10191922 0.77 CA1 (0.48) CA2CA1CA12CA9CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199133-B2 Derivatives of phenoxy-n-′4-(isothiazolindin-1, 1-dioxid-2yl)phenyll-valerian-acid amide and other compounds as inhibitors of the coagulation factor xa in the treatment of thromboembolic diseases and tumors MERCK PATENT GESELLSCHAFT (DE) 2007-04-03 US disclosed
US-7199133-B2 Derivatives of phenoxy-n-′4-(isothiazolindin-1, 1-dioxid-2yl)phenyll-valerian-acid amide and other compounds as inhibitors of the coagulation factor xa in the treatment of thromboembolic diseases and tumors MERCK PATENT GESELLSCHAFT (DE) 2007-04-03 US disclosed
US-7199133-B2 Derivatives of phenoxy-n-′4-(isothiazolindin-1, 1-dioxid-2yl)phenyll-valerian-acid amide and other compounds as inhibitors of the coagulation factor xa in the treatment of thromboembolic diseases and tumors MERCK PATENT GESELLSCHAFT (DE) 2007-04-03 US disclosed
EP-1441726-B1 DERIVATIVES OF PHENOXY-N-'4-(ISOTHIAZOLIDIN-1,1-DIOXID-2YL)PHENY]-VALERIAN- ACID AMIDE AND OTHER COMPOUNDS AS INHIBITORS OF THE COAGULATION FACTOR XA IN THE TREATMENT OF THROMBOEMBOLIC DISEASES AND TUMORS MERCK PATENT GMBH (DE) 2006-12-20 EP disclosed
US-20040254175-A1 Derivatives of phenoxy-n-'4-(isothiazolindin-1,1-dioxid-2yl)phenyl!-valerian-acid amide and other compounds as inhibitors of the coagulation factor xa in the treatment of thromboembolic diseases and tumors MERCK PATENT GMBH (DE) 2004-12-16 US disclosed
EP-1441726-A1 DERIVATIVES OF PHENOXY-N-'4-(ISOTHIAZOLIDIN-1,1-DIOXID-2YL)PHENY!-VALERIAN- ACID AMIDE AND OTHER COMPOUNDS AS INHIBITORS OF THE COAGULATION FACTOR XA IN THE TREATMENT OF THROMBOEMBOLIC DISEASES AND TUMORS Merck Patent GmbH (DE) 2004-08-04 EP disclosed
WO-2003039543-A1 DERIVATIVES OF PHENOXY-N-'4-(ISOTHIAZOLIDIN-1,1-DIOXID-2YL)PHENY!-VALERIAN- ACID AMIDE AND OTHER COMPOUNDS AS INHIBITORS OF THE COAGULATION FACTOR XA IN THE TREATMENT OF THROMBOEMBOLIC DISEASES AND TUMORS MERCK PATENT GMBH (DE) 2003-05-15 WO disclosed
WO-2003039543-A1 DERIVATIVES OF PHENOXY-N-'4-(ISOTHIAZOLIDIN-1,1-DIOXID-2YL)PHENY!-VALERIAN- ACID AMIDE AND OTHER COMPOUNDS AS INHIBITORS OF THE COAGULATION FACTOR XA IN THE TREATMENT OF THROMBOEMBOLIC DISEASES AND TUMORS MERCK PATENT GMBH (DE) 2003-05-15 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-20040254175-A1 Derivatives of phenoxy-n-'4-(isothiazolindin-1,1-dioxid-2yl)phenyl!-valerian-acid amide and other compounds as inhibitors of the coagulation factor xa in the treatment of thromboembolic diseases and tumors F2, F11, SERPINC1 CA2 1319/4885CA1 444/4885CA12 2063/4885

“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.