SCHEMBL8218644

SCHEMBL8218644

CC(C)(C)OC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)Nc1ccc2ccnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.39
EGFR P00533 3/20 0.36
GABRB1 P18505 1/20 0.36
GABRB2 P47870 1/20 0.36
HDAC1 Q13547 4/20 0.35
HDAC4 P56524 3/20 0.35
CTSS P25774 2/20 0.35
CTSK P43235 2/20 0.35
F9 P00740 1/20 0.35
S1PR3 Q99500 1/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
HDAC3 O15379 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC9 Q9UKV0 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
SCHEMBL12313709 0.75 F9 (0.39) F9ROCK2
SCHEMBL10267358 0.75 CYP17A1 (0.50) HDAC1HDAC4CTSSCTSKROCK2
SCHEMBL2910996 0.72 F7 (0.46)
SCHEMBL335913 0.71 ACSS2 (0.45) BACE1EGFRGABRB1GABRB2HDAC1
SCHEMBL335912 0.71 ACSS2 (0.45) BACE1EGFRGABRB1GABRB2HDAC1
SCHEMBL8217383 0.71 ACSS2 (0.44) BACE1EGFRGABRB1GABRB2HDAC1
SCHEMBL3743397 0.70 PDPK1 (0.37) HDAC1HDAC3HDAC6
SCHEMBL335037 0.70 F9 (0.55) F9
SCHEMBL15928103 0.70 F9 (0.71) F9
SCHEMBL7220504 0.69 PLG (0.43) BACE1HDAC1HDAC3HDAC6

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
EP-2069289-B1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXa INHIBITORS SANOFI SA (FR) 2013-10-02 EP disclosed
US-8097758-B2 Isoserine derivatives for use as coagulation factor IXa inhibitors SANOFI-AVENTIS (FR) 2012-01-17 US disclosed
US-8097758-B2 Isoserine derivatives for use as coagulation factor IXa inhibitors SANOFI-AVENTIS (FR) 2012-01-17 US disclosed
US-20090233949-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS SANOFI-AVENTIS (FR) 2009-09-17 US disclosed
US-20090233949-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS SANOFI-AVENTIS (FR) 2009-09-17 US disclosed
WO-2008031509-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXa INHIBITORS SANOFI-AVENTIS (FR) 2008-03-20 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-20090233949-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS TFPI, F2, F9 BACE1 817/4885EGFR 2699/4885GABRB1 845/4885

“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.