SCHEMBL2507744

SCHEMBL2507744

CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(F)(F)F)c1N

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
LMNA P02545 1/20 0.49
AAK1 Q2M2I8 4/20 0.48
MAPK1 P28482 1/20 0.46
CTSS P25774 3/20 0.44
CTSK P43235 3/20 0.44
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
SCN9A Q15858 6/20 0.40
KCNQ2 O43526 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
CTSB P07858 1/20 0.39

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
SCHEMBL2507743 1.00 POLB (0.49) POLBLMNAAAK1MAPK1CTSS
SCHEMBL12222359 0.88 AAK1 (0.48) POLBLMNAAAK1CTSSCTSK
SCHEMBL15597950 0.86 POLB (0.48) POLBLMNAAAK1MAPK1CTSS
SCHEMBL2502879 0.85 POLB (0.50) POLBMAPK1CTSSCTSKKCNQ2
SCHEMBL2508345 0.83 AAK1 (0.48) AAK1CTSSCTSKTP53MAPT
SCHEMBL2508348 0.83 AAK1 (0.48) AAK1CTSSCTSKTP53MAPT
SCHEMBL2510362 0.81 POLB (0.43) POLBLMNAAAK1MAPK1CTSS
SCHEMBL2510363 0.80 AAK1 (0.45) POLBLMNAAAK1MAPK1CTSS
SCHEMBL2510364 0.80 AAK1 (0.45) POLBLMNAAAK1MAPK1CTSS
SCHEMBL2506699 0.80 CTSS (0.44) POLBLMNAAAK1MAPK1CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575183-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2013-11-05 US disclosed
US-8575183-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2013-11-05 US disclosed
US-8575183-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2013-11-05 US disclosed
EP-2552908-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2013-02-06 EP disclosed
WO-2011123751-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 WO disclosed
US-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 US disclosed
US-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 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 (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-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 POLB 1278/4885LMNA 2309/4885AAK1 836/4885

“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.