SCHEMBL4789374

SCHEMBL4789374

Cc1cc(C(Nc2ccc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cccc3c2)C(=O)O)ccc1CCOC(=O)Nc1cccc(C#N)c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.34
SIRT1 Q96EB6 1/20 0.34
RORC P51449 8/20 0.33
KCNJ6 P48051 1/20 0.32
KCNJ5 P48544 1/20 0.32
KCNJ3 P48549 1/20 0.32
BACE1 P56817 3/20 0.32
LMNA P02545 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
PDK1 Q15118 1/20 0.30
PDK2 Q15119 1/20 0.30
PDK3 Q15120 1/20 0.30
PDK4 Q16654 1/20 0.30

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
SCHEMBL3857287 0.90 F7 (0.33) SIRT2SIRT1RORCKCNJ6KCNJ5
SCHEMBL4707977 0.89 BACE1 (0.35) BACE1
SCHEMBL4706802 0.89 F2 (0.32)
SCHEMBL4705082 0.85 BACE1 (0.33) BACE1
SCHEMBL8233838 0.85 BACE1 (0.33) BACE1
SCHEMBL5463277 0.85 BACE1 (0.33) BACE1
SCHEMBL4706638 0.85 BACE1 (0.32) BACE1
SCHEMBL4790868 0.85 F2 (0.35)
SCHEMBL3860776 0.83 F7 (0.34) SIRT2SIRT1
SCHEMBL3863163 0.82 F7 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592331-B2 Macrocyclic factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
EP-1971582-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS Brystol-Myers Squibb Company (US) 2008-09-24 EP disclosed
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 US disclosed
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 US disclosed
WO-2007076431-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-05 WO disclosed
WO-2007076431-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-05 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-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 SIRT2 2105/4885SIRT1 1468/4885RORC 4237/4885

“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.