SCHEMBL4876886

SCHEMBL4876886

CN1CCN(C(=O)CNC(=O)C(Nc2cccc(C(=N)N)c2)c2ccccc2OC2OC(CO)C(O)C(O)C2O)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC28A3 Q9HAS3 2/20 0.37
F10 P00742 3/20 0.35
SLC5A1 P13866 2/20 0.34
SLC5A2 P31639 2/20 0.34
F2 P00734 2/20 0.34
TPSAB1 Q15661 1/20 0.34
TPSD1 Q9BZJ3 1/20 0.34
TPSG1 Q9NRR2 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
PRSS3 P35030 1/20 0.34

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
SCHEMBL8271555 1.00 SLC28A3 (0.37) SLC28A3F10SLC5A1SLC5A2F2
SCHEMBL8271553 1.00 SLC28A3 (0.37) SLC28A3F10SLC5A1SLC5A2F2
SCHEMBL14269790 1.00 SLC28A3 (0.37) SLC28A3F10SLC5A1SLC5A2F2
SCHEMBL8271556 1.00 SLC28A3 (0.37) SLC28A3F10SLC5A1SLC5A2F2
SCHEMBL4870354 0.98 SLC28A3 (0.35) SLC28A3F10SLC5A1SLC5A2F2
SCHEMBL4877826 0.92 SLC28A3 (0.35) SLC28A3F10
SCHEMBL8084204 0.92 SLC28A3 (0.37) SLC28A3F10SLC5A1SLC5A2F2
SCHEMBL6778930 0.91 TSHR (0.38) F2
SCHEMBL19699426 0.91 TSHR (0.38) F2
SCHEMBL16436970 0.91 TSHR (0.38) F2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051388-A1 Novel Compounds That Inhibit Factor Xa Activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2008-02-28 US disclosed
EP-1773855-A1 NOVEL COMPOUNDS THAT INHIBIT FACTOR XA ACTIVITY Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2007-04-18 EP disclosed
WO-2006008141-A1 NOVEL COMPOUNDS THAT INHIBIT FACTOR XA ACTIVITY Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2006-01-26 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-20080051388-A1 Novel Compounds That Inhibit Factor Xa Activity SERPINC1, TFPI, F11 SLC28A3 2331/4885F10 8/4885SLC5A1 460/4885

“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.