SCHEMBL3214464

SCHEMBL3214464

CN(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 4/20 0.45
GAA P10253 2/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
EPHX1 P07099 2/20 0.40
CTSK P43235 4/20 0.40
CTSS P25774 2/20 0.40
BTK Q06187 1/20 0.39
CACNA1B Q00975 1/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL3214462 1.00 AAK1 (0.45) AAK1GAAHDAC4HDAC1HDAC6
SCHEMBL3217851 0.98 AAK1 (0.44) AAK1GAAHDAC4HDAC1HDAC6
SCHEMBL3217846 0.98 AAK1 (0.44) AAK1GAAHDAC4HDAC1HDAC6
SCHEMBL28644351 0.87 AAK1 (0.50) AAK1GAACTSKCTSSCA1
SCHEMBL22183911 0.87 AAK1 (0.50) AAK1GAACTSKCTSSCA1
SCHEMBL6244618 0.86 AAK1 (0.42) AAK1GAAHDAC4HDAC1HDAC6
SCHEMBL14074329 0.86 AAK1 (0.44) AAK1GAAHDAC4HDAC1HDAC6
SCHEMBL1414327 0.86 AAK1 (0.44) AAK1GAAHDAC4HDAC1HDAC6
SCHEMBL10173661 0.84 AAK1 (0.43) AAK1GAAHDAC4HDAC1HDAC6
SCHEMBL8142585 0.83 AAK1 (0.47) AAK1GAAHDAC4HDAC1HDAC6

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 3 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

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 AAK1 3312/4885GAA 71/4885HDAC4 2776/4885
US-20100029686-A1 HCV PROTEASE INHIBITORS AND USES THEREOF SERPINB1, PEPD, PREP AAK1 3312/4885GAA 71/4885HDAC4 2776/4885

“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.