SCHEMBL4759041

SCHEMBL4759041

CCS(=O)(=O)c1ccc(C#N)cc1NC(=O)N(C)CCc1ccc(B(O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 6/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
ENPP2 Q13822 1/20 0.34
RORC P51449 4/20 0.33
NPY5R Q15761 1/20 0.33
PTGES2 Q9H7Z7 1/20 0.33
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
MMP2 P08253 1/20 0.32

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
SCHEMBL3858613 0.83 CA12 (0.45) CA12CA1CA2CA9RORC
SCHEMBL4707402 0.82 DDR1 (0.39) DDR1ENPP2RORCPTGES2LPL
SCHEMBL3856986 0.78 CA12 (0.52) CA12CA1CA2CA9ENPP2
SCHEMBL3864900 0.72 PPARG (0.47) CA12CA1CA2CA9ENPP2
SCHEMBL3859313 0.71 CA12 (0.44) CA12CA1CA2CA9RORC
SCHEMBL3860624 0.67 HDAC3 (0.40) CA1CA2RORCLPLLIPG
SCHEMBL3857795 0.67 CA12 (0.41) CA12CA1CA2CA9ENPP2
SCHEMBL18035276 0.66 DDR1 (0.47) DDR1CA1CA2PTGES2
SCHEMBL3863276 0.66 MGLL (0.39) RORCLPLLIPG
SCHEMBL13631370 0.65 CA12 (0.51) CA12CA1CA2CA9NPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 DDR1 2791/4885CA12 2575/4885CA1 2421/4885

“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.