SCHEMBL2248369

SCHEMBL2248369

CC(C)(C)OC(=O)N=C(NC(=O)OC(C)(C)C)Nc1cccc(CNC(=O)C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.41
RPS6KB1 P23443 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
PDK1 Q15118 2/20 0.39
PDK2 Q15119 2/20 0.39
PDK3 Q15120 2/20 0.39
PDK4 Q16654 2/20 0.39
BRD4 O60885 2/20 0.39
CCKBR P32239 1/20 0.39
GLS O94925 2/20 0.38

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
SCHEMBL2243431 0.88 NR1H4 (0.45) HDAC1HDAC6MAPTL3MBTL1NAMPT
SCHEMBL14437089 0.88 NR1H4 (0.45) HDAC1HDAC6MAPTL3MBTL1NAMPT
SCHEMBL207904 0.84 PDK1 (0.47) AURKARPS6KB1HDAC3HDAC4HDAC1
SCHEMBL27113168 0.84 SENP5 (0.43) AURKARPS6KB1BRD4CCKBRGLS
SCHEMBL27113174 0.83 AURKA (0.43) AURKARPS6KB1BRD4CCKBRGLS
SCHEMBL19639348 0.82 SENP1 (0.49) HDAC1CCKBRMAPTSMN1; SMN2NAMPT
SCHEMBL4751779 0.80 AURKB (0.49) AURKARPS6KB1HDAC3HDAC4HDAC1
SCHEMBL12336560 0.80 RXFP1 (0.56) MAPTL3MBTL1RXFP1LMNASMN1; SMN2
SCHEMBL16355923 0.80 MEN1 (0.44) MAPTRXFP1
SCHEMBL208846 0.79 SIRT2 (0.38) AURKARPS6KB1HDAC4HDAC1RXFP1

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-1808440-B1 Non-covalent inhibitors of urokinase and blood vessel formation WILEX AG (DE) 2011-07-27 EP disclosed
EP-1808440-A1 Non-covalent inhibitors of urokinase and blood vessel formation Wilex AG (DE) 2007-07-18 EP disclosed
EP-1182207-B1 Non-covalent inhibitors of urokinase and blood vessel formation DENDREON CORP (US) 2007-04-18 EP disclosed
US-6586405-B2 Therapy for blood disorders CORVAS INTERNATIONAL, INC. 2003-07-01 US disclosed
US-20020037857-A1 Non-covalent inhibitors of urokinase and blood vessel formation CORVAS INTERNATIONAL, INC. 2002-03-28 US disclosed
EP-1182207-A2 Non-covalent inhibitors of urokinase and blood vessel formation CORVAS INTERNATIONAL, INC. (US) 2002-02-27 EP 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-20020037857-A1 Non-covalent inhibitors of urokinase and blood vessel formation PLAU, PLAT, PLG AURKA 1713/4885RPS6KB1 2536/4885HDAC3 1092/4885

“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.