SCHEMBL5165451

SCHEMBL5165451

CCCC(Oc1cccc(-c2noc(C)n2)c1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.52
PPARA Q07869 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TP53 P04637 3/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
KIFC1 Q9BW19 5/20 0.44
MAPT P10636 2/20 0.43
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
TSHR P16473 1/20 0.41
FOLH1 Q04609 1/20 0.41
SPHK2 Q9NRA0 1/20 0.41
SPHK1 Q9NYA1 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
SCHEMBL7183487 0.92 L3MBTL1 (0.48) PPARGPPARAL3MBTL1RAB9ANPC1
SCHEMBL5162953 0.90 L3MBTL1 (0.50) PPARGPPARAL3MBTL1RAB9ANPC1
SCHEMBL5165350 0.90 L3MBTL1 (0.50) L3MBTL1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL14539769 0.89 L3MBTL1 (0.49) PPARGPPARAL3MBTL1RAB9ANPC1
SCHEMBL14408258 0.85 L3MBTL1 (0.45) PPARGPPARAL3MBTL1RAB9ANPC1
SCHEMBL14408266 0.83 L3MBTL1 (0.52) L3MBTL1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL14539768 0.83 L3MBTL1 (0.52) L3MBTL1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL5165370 0.79 L3MBTL1 (0.54) PPARAL3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL5163666 0.77 MAPK14 (0.47) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL16481854 0.76 L3MBTL1 (0.64) L3MBTL1RAB9ANPC1SMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7273867-B2 Phenyl derivatives MERCK PATENT GMBH (DE) 2007-09-25 US disclosed
US-7273867-B2 Phenyl derivatives MERCK PATENT GMBH (DE) 2007-09-25 US disclosed
US-7273867-B2 Phenyl derivatives MERCK PATENT GMBH (DE) 2007-09-25 US disclosed
EP-1351938-B1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2007-04-11 EP disclosed
EP-1351938-B1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2007-04-11 EP 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
US-20040087582-A1 Phenyl derivatives MERCK PATENT GESELLSCHAFT (DE) 2004-05-06 US disclosed
EP-1351938-A1 PHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-15 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-2002057236-A1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2002-07-25 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 (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-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 PPARG 2975/4885PPARA 4033/4885L3MBTL1 2128/4885
US-20040087582-A1 Phenyl derivatives F2, F11, SERPINC1 PPARG 1766/4885PPARA 2797/4885L3MBTL1 389/4885

“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.