SCHEMBL5358656

SCHEMBL5358656

CCCC(Oc1cccc(-c2noc(C)n2)c1)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
RHOA P61586 1/20 0.44
LMNA P02545 4/20 0.43
CPT1A P50416 1/20 0.42
TP53 P04637 10/20 0.42
POLB P06746 2/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL5163666 0.85 MAPK14 (0.47) MAPTRHOALMNANPC1RAB9A
SCHEMBL14542584 0.83 RHOA (0.42) MAPTRHOALMNATP53POLB
SCHEMBL5348339 0.81 MAPT (0.51) MAPTTP53NPC1RAB9ASMN1; SMN2
SCHEMBL5407681 0.75 MAPT (0.44) MAPTTP53
SCHEMBL5165451 0.74 PPARG (0.52) MAPTLMNATP53NPC1RAB9A
SCHEMBL5162953 0.73 L3MBTL1 (0.50) MAPTLMNATP53POLBNPC1
SCHEMBL5165350 0.73 L3MBTL1 (0.50) MAPTLMNATP53NPC1RAB9A
SCHEMBL14539769 0.73 L3MBTL1 (0.49) MAPTLMNATP53NPC1RAB9A
SCHEMBL5357341 0.72 TP53 (0.45) MAPTTP53
SCHEMBL5349981 0.70 F10 (0.50) MAPTTP53

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 4 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-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
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 MAPT 4492/4885RHOA 2741/4885LMNA 820/4885

“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.