SCHEMBL5357341

SCHEMBL5357341

CCCC(Oc1cccc(C(=N)N)c1)C(=O)Nc1ccc(N2CCCS2(=O)=O)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.45
F10 P00742 7/20 0.43
PRSS1 P07477 4/20 0.43
MAPT P10636 1/20 0.42
PLAU P00749 3/20 0.38
HPN P05981 1/20 0.38
F2 P00734 1/20 0.36
PLG P00747 1/20 0.36
PLAT P00750 1/20 0.36
KLKB1 P03952 1/20 0.36

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
SCHEMBL5348339 0.88 MAPT (0.51) TP53F10PRSS1MAPT
SCHEMBL5163876 0.83 F10 (0.45) F10PRSS1PLAUHPN
SCHEMBL5164416 0.82 F10 (0.48) F10PRSS1PLAUHPN
SCHEMBL5163949 0.82 F10 (0.48) F10PRSS1PLAUHPN
SCHEMBL5167890 0.82 F10 (0.47) F10PRSS1PLAUHPN
SCHEMBL5164832 0.82 F10 (0.47) F10PRSS1PLAUHPN
SCHEMBL5349981 0.77 F10 (0.50) TP53F10PRSS1MAPT
SCHEMBL5349961 0.77 TP53 (0.39) TP53F10MAPT
SCHEMBL5166099 0.76 F10 (0.49) F10PRSS1PLAU
SCHEMBL5165742 0.76 F10 (0.52) TP53F10PRSS1PLAUHPN

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 5 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 claimed
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 claimed
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 claimed
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-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

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 TP53 1323/4885F10 4/4885PRSS1 119/4885

“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.