SCHEMBL3868095

SCHEMBL3868095

CCc1cc(C(Nc2cccc(C(N)=O)c2)C(=O)O)ccc1CCCC(=O)Nc1ccc(S(=O)(=O)C(C)C)c(CN(C)C(=O)OC(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F7 P08709 2/20 0.40
F3 P13726 2/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
F2 P00734 8/20 0.37
PARP1 P09874 1/20 0.37
PARP10 Q53GL7 1/20 0.37
AURKA O14965 3/20 0.35
RPS6KB1 P23443 3/20 0.35
TMPRSS6 Q8IU80 4/20 0.35
PARP14 Q460N5 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
F10 P00742 1/20 0.32
F11 P03951 1/20 0.32
LMNA P02545 1/20 0.32
GLS O94925 1/20 0.31

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
SCHEMBL13631459 0.93 MEN1 (0.38) F7F3MEN1KMT2AF2
SCHEMBL14418248 0.90 MEN1 (0.38) F7F3MEN1KMT2AF2
SCHEMBL3862872 0.83 F7 (0.42) F7F3F2PARP1PARP10
SCHEMBL3868396 0.80 F7 (0.33) F7F3AURKARPS6KB1GLS
SCHEMBL13619449 0.79 AAK1 (0.35) MEN1KMT2ACA1CA2LMNA
SCHEMBL3861255 0.79 CA1 (0.35) CA1CA2LMNAGLS
SCHEMBL4789538 0.77 F7 (0.40) F7F3MEN1KMT2ALMNA
SCHEMBL13331080 0.76 F7 (0.42) F7F3LMNAGLS
SCHEMBL13331098 0.76 F7 (0.41) F7F3LMNA
SCHEMBL13631456 0.76 AURKA (0.36) F7F3MEN1KMT2AF2

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
EP-1971582-B1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2012-10-10 EP disclosed
US-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2009-11-12 US disclosed
US-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2009-11-12 US disclosed
US-7592331-B2 Macrocyclic factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
US-7592331-B2 Macrocyclic factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 F7 2/4885F3 10/4885MEN1 970/4885
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 F7 2/4885F3 10/4885MEN1 970/4885

“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.