SCHEMBL3197902

SCHEMBL3197902

COC(=O)c1ccc(OC)cc1OCCCCNC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.54
CA1 P00915 7/20 0.54
CA2 P00918 7/20 0.54
CA9 Q16790 7/20 0.54
DYRK1A Q13627 1/20 0.47
BRD4 O60885 3/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
DRD2 P14416 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SUCNR1 Q9BXA5 1/20 0.43

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
SCHEMBL3160688 0.96 CA12 (0.53) CA12CA1CA2CA9DYRK1A
SCHEMBL3151989 0.93 CA12 (0.52) CA12CA1CA2CA9DYRK1A
SCHEMBL3203569 0.91 CA12 (0.54) CA12CA1CA2CA9DYRK1A
SCHEMBL7401274 0.88 CA12 (0.55) CA12CA1CA2CA9DYRK1A
SCHEMBL20471981 0.87 CA12 (0.50) CA12CA1CA2CA9KDM4E
SCHEMBL3198347 0.87 CA12 (0.51) CA12CA1CA2CA9DYRK1A
SCHEMBL2551702 0.87 CA12 (0.50) CA12CA1CA2CA9BRD4
SCHEMBL3155955 0.87 CA12 (0.53) CA12CA1CA2CA9DYRK1A
SCHEMBL17874357 0.87 CA12 (0.52) CA12CA1CA2CA9SUCNR1
SCHEMBL3898684 0.86 CA12 (0.53) CA12CA1CA2CA9BRD4

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-7666866-B2 Antithrombotic diamides ELI LILLY AND COMPANY (US) 2010-02-23 US disclosed
EP-1819693-B1 ANTITHROMBOTIC DIAMIDES LILLY CO ELI (US) 2009-08-26 EP disclosed
US-20090062271-A1 Antithrombotic Diamides ELI LILLY AND COMPANY (US) 2009-03-05 US disclosed
EP-1819693-A1 ANTITHROMBOTIC DIAMIDES ELI LILLY AND COMPANY (US) 2007-08-22 EP disclosed
WO-2006057868-A1 ANTITHROMBOTIC DIAMIDES ELI LILLY AND COMPANY (US) 2006-06-01 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-20090062271-A1 Antithrombotic Diamides TFPI, SERPINC1, TFPI2 CA12 740/4885CA1 723/4885CA2 960/4885

“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.