SCHEMBL3217995

SCHEMBL3217995

CN(C)C(=O)C(OC(=O)NC(C)(C)C)c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 2/20 0.39
LMNA P02545 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
DPP4 P27487 3/20 0.34
DPP8 Q6V1X1 1/20 0.34

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
SCHEMBL3223416 0.85 NPSR1 (0.43) TXNRD1LMNAKMT2AMEN1ADRB3
SCHEMBL3223411 0.85 NPSR1 (0.43) TXNRD1LMNAKMT2AMEN1ADRB3
SCHEMBL4788119 0.80 TDP1 (0.59) LMNAKMT2AMEN1
SCHEMBL27674502 0.74 LMNA (0.39) TXNRD1LMNAKMT2AMEN1HDAC3
SCHEMBL27674503 0.74 LMNA (0.39) TXNRD1LMNAKMT2AMEN1HDAC3
SCHEMBL3224055 0.74 LMNA (0.39) LMNAKMT2AMEN1
SCHEMBL3224060 0.74 LMNA (0.39) LMNAKMT2AMEN1
SCHEMBL27674506 0.71 TXNRD1 (0.41) TXNRD1LMNAADRB2ADRB1ADRB3
SCHEMBL27652976 0.71 HPGD (0.47) LMNAKMT2AMEN1
SCHEMBL3218001 0.69 CTSS (0.45) LMNAKMT2AMEN1

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-20130303547-A1 HCV Protease Inhibitors and Uses Thereof ABBVIE INC (US) 2013-11-14 US disclosed
US-8497275-B2 HCV protease inhibitors and uses thereof ABBVIE INC. (US) 2013-07-30 US disclosed
US-20100029686-A1 HCV PROTEASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-02-04 US disclosed
WO-2008074035-A1 HCV PROTEASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2008-06-19 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 (2 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-20130303547-A1 HCV Protease Inhibitors and Uses Thereof SERPINB1, PEPD, PREP TXNRD1 1816/4885LMNA 2562/4885KMT2A 4148/4885
US-20100029686-A1 HCV PROTEASE INHIBITORS AND USES THEREOF SERPINB1, PEPD, PREP TXNRD1 1816/4885LMNA 2562/4885KMT2A 4148/4885

“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.