SCHEMBL6123232

SCHEMBL6123232

CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)c(F)c2)C(=O)C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
DPP4 P27487 9/20 0.46
CYP3A4 P08684 1/20 0.46
PREP P48147 1/20 0.45
PARP1 P09874 4/20 0.42
PARP2 Q9UGN5 4/20 0.42
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
IDO2 Q6ZQW0 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
VEGFA P15692 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
ESR2 Q92731 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL4693307 0.90 P2RX7 (0.47) TP53DPP4CYP3A4PARP1PARP2
SCHEMBL4158417 0.87 DPP4 (0.49) TP53DPP4CYP3A4IDO1TDO2
SCHEMBL14103789 0.86 VEGFA (0.53) TP53HDAC1HDAC6VEGFAEGLN1
SCHEMBL22532823 0.83 TP53 (0.50) TP53DPP4CYP3A4PREPHDAC1
SCHEMBL20129614 0.83 TP53 (0.50) TP53DPP4CYP3A4PREPHDAC1
SCHEMBL30803083 0.83 HDAC1 (0.47) TP53HDAC1HDAC6
SCHEMBL6791921 0.83 HDAC1 (0.47) TP53HDAC1HDAC6
SCHEMBL5541488 0.83 MAPT (0.50) TP53HDAC1HDAC6VEGFAEGLN1
SCHEMBL2313905 0.83 TP53 (0.50) TP53DPP4CYP3A4PREPHDAC1
SCHEMBL1876106 0.82 TP53 (0.49) TP53HDAC1HDAC6VEGFAEGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND SHIONOGI & CO., LTD. (JP) 2012-05-31 US disclosed
US-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND SHIONOGI & CO., LTD. (JP) 2012-05-31 US disclosed
US-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND SHIONOGI & CO., LTD. (JP) 2012-05-31 US disclosed
EP-2455370-A1 PHARMACEUTICAL PRODUCT CONTAINING LACTAM OR BENZENE SULFONAMIDE COMPOUND Shionogi&Co., Ltd. (JP) 2012-05-23 EP disclosed
EP-2455370-A1 PHARMACEUTICAL PRODUCT CONTAINING LACTAM OR BENZENE SULFONAMIDE COMPOUND Shionogi&Co., Ltd. (JP) 2012-05-23 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-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND BACE1, STS, APP TP53 1288/4885DPP4 1078/4885CYP3A4 571/4885

“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.