SCHEMBL3901784

SCHEMBL3901784

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

nearest known ligand 0.53

Predicted protein targets (top 12)

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
SUCNR1 Q9BXA5 5/20 0.46
PDK2 Q15119 1/20 0.45
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41

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
SCHEMBL3898684 0.91 CA12 (0.53) CA12CA1CA2CA9BRD4
SCHEMBL7399614 0.91 CA12 (0.55) CA12CA1CA2CA9BRD4
SCHEMBL3155955 0.90 CA12 (0.53) CA12CA1CA2CA9BRD4
SCHEMBL3903773 0.89 CA12 (0.53) CA12CA1CA2CA9BRD4
SCHEMBL3195599 0.89 CA12 (0.52) CA12CA1CA2CA9BRD4
SCHEMBL17874358 0.88 CA12 (0.53) CA12CA1CA2CA9PDK2
SCHEMBL3203569 0.86 CA12 (0.54) CA12CA1CA2CA9BRD4
SCHEMBL3161402 0.86 CA12 (0.52) CA12CA1CA2CA9BRD4
SCHEMBL17874359 0.86 CA12 (0.55) CA12CA1CA2CA9
SCHEMBL3194156 0.85 CA12 (0.48) CA12CA1CA2CA9PDK2

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.