SCHEMBL3898684

SCHEMBL3898684

COCCOc1ccc(C(=O)OC)c(OCCCNC(=O)OC(C)(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.53
CA1 P00915 5/20 0.53
CA2 P00918 5/20 0.53
CA9 Q16790 5/20 0.53
BRD4 O60885 2/20 0.49
PDK2 Q15119 1/20 0.48
SUCNR1 Q9BXA5 5/20 0.44
CYP1A1 P04798 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP2C19 P33261 1/20 0.40
CYP3A43 Q9HB55 1/20 0.40
PPARG P37231 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
DRD2 P14416 1/20 0.40

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
SCHEMBL3901784 0.91 CA12 (0.53) CA12CA1CA2CA9BRD4
SCHEMBL7401274 0.91 CA12 (0.55) CA12CA1CA2CA9BRD4
SCHEMBL3198347 0.90 CA12 (0.51) CA12CA1CA2CA9BRD4
SCHEMBL4567022 0.90 CA12 (0.52) CA12CA1CA2CA9BRD4
SCHEMBL3160688 0.90 CA12 (0.53) CA12CA1CA2CA9BRD4
SCHEMBL17874357 0.89 CA12 (0.52) CA12CA1CA2CA9PDK2
SCHEMBL3197902 0.86 CA12 (0.54) CA12CA1CA2CA9BRD4
SCHEMBL3151989 0.86 CA12 (0.52) CA12CA1CA2CA9BRD4
SCHEMBL3196180 0.85 PDK2 (0.47) CA12CA1CA2CA9PDK2
SCHEMBL7398526 0.85 CA12 (0.59) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511066-B2 Antithrombotic aromatic ethers ELI LILLY AND COMPANY (US) 2009-03-31 US disclosed
US-20070027185-A1 Antithrombotic aromatic ethers ELILILLY AND COMPANY (US) 2007-02-01 US disclosed
EP-1670783-A2 ANTITHROMBOTIC AROMATIC ETHERS ELI LILLY AND COMPANY (US) 2006-06-21 EP disclosed
WO-2005049604-A2 ANTITHROMBOTIC AROMATIC ETHERS ELI LILLY AND COMPANY (US) 2005-06-02 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-20070027185-A1 Antithrombotic aromatic ethers F2, F11, TFPI CA12 2570/4885CA1 2130/4885CA2 2701/4885

“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.