SCHEMBL6168824

SCHEMBL6168824

COc1cccc(C(=O)Nc2ccc3cnn(C(=O)OC(C)(C)C)c3c2)c1NC(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 8/20 0.48
PPARG P37231 3/20 0.46
PPARA Q07869 2/20 0.46
TP53 P04637 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
THRB P10828 1/20 0.44
EPHX2 P34913 1/20 0.44
MAPT P10636 1/20 0.43
KCNK9 Q9NPC2 2/20 0.41
KCNK3 O14649 1/20 0.41
KDR P35968 1/20 0.40
PPARD Q03181 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.40
MAOB P27338 1/20 0.40
HTR1A P08908 1/20 0.40
HTR1B P28222 1/20 0.40
HTR1F P30939 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TRPV1 Q8NER1 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
SCHEMBL6170175 0.91 TP53 (0.51) NR1H4PPARGPPARATP53SMN1; SMN2
SCHEMBL6169372 0.85 NR1H4 (0.56) NR1H4PPARGPPARATP53SMN1; SMN2
SCHEMBL6169267 0.85 TP53 (0.43) NR1H4PPARGPPARATP53SMN1; SMN2
SCHEMBL6169290 0.84 KCNK3 (0.42) TP53SMN1; SMN2MAPTKCNK9KCNK3
SCHEMBL6171464 0.81 RAB9A (0.48) SMN1; SMN2MAPTKCNK9KCNK3MEN1
SCHEMBL6170962 0.81 NPC1 (0.53) NR1H4PPARGPPARAPPARDMEN1
SCHEMBL6170028 0.80 NR1H4 (0.43) NR1H4PPARGPPARATP53SMN1; SMN2
SCHEMBL6169081 0.80 NR1H4 (0.44) NR1H4PPARGPPARATP53SMN1; SMN2
SCHEMBL6170377 0.78 F10 (0.46) NR1H4PPARGPPARAEPHX2MEN1
SCHEMBL6171658 0.78 NR1H4 (0.43) NR1H4PPARGPPARAEPHX2PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019045-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2005-06-08 EP disclosed
US-20030078431-A1 Antithrombotic agents BEIGHT DOUGLAS WADE (US) 2003-04-24 US disclosed
US-6500851-B2 ANTICOAGULANT IN MAMMLS ELI LILLY AND COMPANY 2002-12-31 US disclosed
US-20020173518-A1 Antithrombotic agents BEIGHT DOUGLAS WADE (US) 2002-11-21 US disclosed
EP-1019045-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2002-07-03 EP disclosed
US-6372759-B1 BLOOD COAGULATION FACTOR XA FOR MAMMALS ELI LILLY AND COMPANY 2002-04-16 US disclosed
EP-1019045-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-19 EP disclosed
WO-1999000128-A9 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 1999-08-05 WO disclosed
WO-1999000128-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 (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-20020173518-A1 Antithrombotic agents SERPINC1, TFPI, F11 NR1H4 1884/4885PPARG 3664/4885PPARA 3821/4885
US-20030078431-A1 Antithrombotic agents SERPINC1, TFPI, F11 NR1H4 1884/4885PPARG 3664/4885PPARA 3821/4885

“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.