SCHEMBL6773996

SCHEMBL6773996

CC(=O)C1(c2ccccc2)CCN(C(=O)CNC(=O)C(Nc2cccc(C(=N)N)c2)c2cccc(OCC(=O)O)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.40
ITGB3 P05106 3/20 0.39
ITGA2B P08514 3/20 0.39
POLB P06746 1/20 0.38
PRSS1 P07477 8/20 0.38
F2 P00734 4/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
F7 P08709 4/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL27579761 0.89 F10 (0.43) F10ITGB3ITGA2BPOLBPRSS1
SCHEMBL6779135 0.82 TSHR (0.44) F10ITGB3ITGA2BPOLBPRSS1
SCHEMBL6784570 0.81 F10 (0.49) F10PRSS1F2
SCHEMBL6783740 0.80 ENPP2 (0.46) F10ITGB3ITGA2BPRSS1MEN1
SCHEMBL6777481 0.80 ITGB3 (0.41) F10ITGB3ITGA2BPOLBPRSS1
SCHEMBL6777513 0.79 F10 (0.45) F10ITGB3ITGA2BPOLBPRSS1
SCHEMBL6779880 0.79 MAPT (0.44) F10PRSS1F2F7MEN1
SCHEMBL6780280 0.76 LMNA (0.47) F10POLBPRSS1F2F7
SCHEMBL6779499 0.76 SLC28A3 (0.35) F10L3MBTL1
SCHEMBL6775750 0.74 MAPT (0.51) F10POLBPRSS1F2MEN1

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
US-6794507-B2 Compounds that inhibit factor Xa activity MORPHOCHEM AG (DE) 2004-09-21 US disclosed
US-20030153510-A1 Novel compounds inhibiting factor xa activity CAPPI MICHAEL W (DE) 2003-08-14 US disclosed
EP-1311473-A2 NOVEL COMPOUNDS INHIBITING FACTOR XA ACTIVITY Morphochem AG (DE) 2003-05-21 EP disclosed
WO-2002016312-A2 NOVEL COMPOUNDS INHIBITING FACTOR XA ACTIVITY MORPHOCHEM AG (DE) 2002-02-28 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-20030153510-A1 Novel compounds inhibiting factor xa activity SERPINC1, F11, TFPI F10 6/4885ITGB3 2055/4885ITGA2B 1146/4885

“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.