SCHEMBL3907641

SCHEMBL3907641

CC(C)(C)OC(=O)N1CCC(Oc2cc(N3CCCC3)ccc2C(=O)Nc2ccsc2C(=O)O)CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.45
PDE4B Q07343 2/20 0.42
GPR119 Q8TDV5 7/20 0.40
PDE4D Q08499 2/20 0.39
PDE4A P27815 1/20 0.39
PDE4C Q08493 1/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 1/20 0.39
MMP13 P45452 1/20 0.38

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
SCHEMBL3898794 0.93 ALDH1A1 (0.46) TOP2APDE4BMAPT
SCHEMBL8285046 0.89 PDE4B (0.38) TOP2APDE4BGPR119TP53MAPT
SCHEMBL13902789 0.87 GPR119 (0.42) TOP2APDE4BGPR119PDE4DPDE4A
SCHEMBL3907007 0.86 TOP2A (0.46) TOP2APDE4BGPR119PDE4DPDE4A
SCHEMBL3151577 0.86 TOP2A (0.47) TOP2APDE4BGPR119TP53
SCHEMBL13902779 0.85 PDE4B (0.41) TOP2APDE4BGPR119PDE4DPDE4A
SCHEMBL3903514 0.84 BCL9 (0.40) MAPT
SCHEMBL3157312 0.83 PDE4B (0.52) PDE4BGPR119PDE4DPDE4APDE4C
SCHEMBL3904231 0.83 TOP2A (0.45) TOP2APDE4BGPR119PDE4DPDE4A
SCHEMBL3160242 0.83 METAP1 (0.44) TOP2APDE4BGPR119TP53

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 7 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-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
US-20070027185-A1 Antithrombotic aromatic ethers ELILILLY AND COMPANY (US) 2007-02-01 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 TOP2A 4355/4885PDE4B 1956/4885GPR119 1378/4885

“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.