SCHEMBL3862872

SCHEMBL3862872

CC(C)S(=O)(=O)c1ccc(NC(=O)OCCc2ccc(C(Nc3cccc(C(N)=O)c3)C(=O)O)cc2)cc1CN(C)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 2/20 0.42
F3 P13726 2/20 0.42
AURKA O14965 4/20 0.36
RPS6KB1 P23443 4/20 0.36
MGLL Q99685 1/20 0.34
BACE1 P56817 3/20 0.34
ROCK2 O75116 1/20 0.32
HPGD P15428 2/20 0.32
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
F11 P03951 1/20 0.32
ITGB3 P05106 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGAV P06756 1/20 0.31
ITGA2B P08514 1/20 0.31
ITGB5 P18084 1/20 0.31
PARP1 P09874 1/20 0.31
PARP10 Q53GL7 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 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
SCHEMBL13631456 0.93 AURKA (0.36) F7F3AURKARPS6KB1MGLL
SCHEMBL4789538 0.91 F7 (0.40) F7F3MGLLHPGDLMNA
SCHEMBL14418478 0.89 AURKA (0.36) F7F3AURKARPS6KB1MGLL
SCHEMBL13331650 0.83 F7 (0.44) F7F3ROCK2F2F10
SCHEMBL3868095 0.83 F7 (0.40) F7F3AURKARPS6KB1F2
SCHEMBL13331668 0.82 F7 (0.45) F7F3F2F10F11
SCHEMBL3868396 0.81 F7 (0.33) F7F3AURKARPS6KB1
SCHEMBL3859077 0.80 MEN1 (0.35) MGLLHPGD
SCHEMBL3866342 0.80 MGLL (0.34) MGLLHPGDLMNA
SCHEMBL3858030 0.79 F7 (0.34) F7F3F2F10F11

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 10/4885AURKA 1275/4885
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 F7 2/4885F3 10/4885AURKA 1275/4885

“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.