SCHEMBL6541256

SCHEMBL6541256

CC(C)(C)OC(=O)N=C(NC(=O)OC(C)(C)C)c1cccc(NC(=O)c2sccc2NC(=O)c2ccc(C(C)(C)C)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK9 Q9NPC2 1/20 0.45
NR1H4 Q96RI1 9/20 0.45
PPARG P37231 3/20 0.45
PPARD Q03181 1/20 0.45
GPBAR1 Q8TDU6 1/20 0.45
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
KCNK3 O14649 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 2/20 0.41
LMNA P02545 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL6541251 1.00 KCNK9 (0.45) KCNK9NR1H4PPARGPPARDGPBAR1
SCHEMBL6541262 0.83 NR1H4 (0.43) KCNK9NR1H4PPARGPPARDGPBAR1
SCHEMBL6774737 0.77 KCNK9 (0.55) KCNK9NR1H4PPARGPPARDGPBAR1
Hydrochloric Acid SCHEMBL6541293 0.76 KCNK9 (0.54) KCNK9NR1H4PPARGPPARDGPBAR1
SCHEMBL6542489 0.73 NR1H4 (0.69) KCNK9NR1H4RAB9ANPC1KCNK3
Hydrochloric Acid SCHEMBL6542404 0.72 CA1 (0.48) KCNK9NR1H4PPARGPPARDGPBAR1
SCHEMBL13605105 0.71 KCNK9 (0.70) KCNK9NR1H4PPARGPPARDGPBAR1
SCHEMBL6258773 0.70 MAPT (0.65) NR1H4RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL1704198 0.70 LMNA (0.51) PPARGRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL6170359 0.67 HPGD (0.75) RAB9ANPC1SMN1; SMN2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1007037-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2004-10-06 EP disclosed
US-6677369-B2 CARBOXIMIDAMIDE DERIVATIVE ANTICOAGULANTS INHIBIT FACTOR XA ELI LILLY AND COMPANY 2004-01-13 US disclosed
US-20030195223-A1 An anticoagulant, blood inhibitor of factor Xa, a N1-amidinebenzoyl- N2-benzoyl-1,2-benzenediamine derivatives; chemical intermediates BEIGHT DOUGLAS WADE (US) 2003-10-16 US disclosed
US-6417200-B1 BLOOD COAGULATION FACTOR XA IN MAMMALS ELI LILLY AND COMPANY 2002-07-09 US disclosed
EP-1007037-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-06-14 EP disclosed
WO-1999000127-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 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-20030195223-A1 An anticoagulant, blood inhibitor of factor Xa, a N1-amidinebenzoyl- N2-benzoyl-1,2-benzenediamine derivatives; chemical intermediates F12, F11, F2 KCNK9 1024/4885NR1H4 3141/4885PPARG 4343/4885

“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.