SCHEMBL6169049

SCHEMBL6169049

CC(C)(C)OC(=O)n1ccc2ccc(NC(=O)c3ccc(N)cc3NC(=O)OCC3CCN(c4ccncc4)CC3)cc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.38
NR1H4 Q96RI1 1/20 0.35
HDAC3 O15379 3/20 0.34
HDAC1 Q13547 3/20 0.34
HDAC2 Q92769 3/20 0.34
MAPK14 Q16539 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
CHRM3 P20309 1/20 0.33
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
PTK2 Q05397 1/20 0.33
BDKRB1 P46663 3/20 0.33
SYK P43405 1/20 0.32
AKT1 P31749 1/20 0.32

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
SCHEMBL6168830 0.90 F10 (0.36) F10NR1H4MAPK14GPR119JAK2
SCHEMBL6169098 0.90 F10 (0.39) F10NR1H4
SCHEMBL6171248 0.89 F10 (0.43) F10
SCHEMBL7372042 0.84 F10 (0.38) F10NR1H4HDAC3HDAC1HDAC2
SCHEMBL6168512 0.83 F10 (0.45) F10
SCHEMBL6169725 0.81 F10 (0.39) F10
SCHEMBL6171243 0.81 GPR119 (0.36) F10MAPK14GPR119
SCHEMBL6172499 0.81 F10 (0.35) F10MAPK14GPR119
SCHEMBL7082624 0.79 F10 (0.45) F10
SCHEMBL6169056 0.79 SCN3A (0.34) JAK2

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 F10 15/4885NR1H4 1884/4885HDAC3 624/4885
US-20030078431-A1 Antithrombotic agents SERPINC1, TFPI, F11 F10 15/4885NR1H4 1884/4885HDAC3 624/4885

“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.