SCHEMBL2506697

SCHEMBL2506697

CCC(NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(F)(F)F)c1NCc1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.44
CTSK P43235 2/20 0.44
POLB P06746 3/20 0.42
LMNA P02545 1/20 0.42
SCN9A Q15858 9/20 0.42
MAPK1 P28482 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
AAK1 Q2M2I8 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
CYP3A4 P08684 2/20 0.38
SCN10A Q9Y5Y9 1/20 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
SCHEMBL2506699 1.00 CTSS (0.44) CTSSCTSKPOLBLMNASCN9A
SCHEMBL27929157 0.91 POLB (0.45) CTSSCTSKPOLBLMNASCN9A
SCHEMBL12222165 0.91 CTSK (0.46) CTSSCTSKPOLBSCN9AMAPK1
SCHEMBL2508228 0.88 EPHX2 (0.42) POLBLMNAMAPK1
SCHEMBL2503898 0.86 CTSK (0.43) CTSSCTSKPOLBSCN9ATP53
SCHEMBL2503897 0.86 CTSK (0.43) CTSSCTSKPOLBSCN9ATP53
SCHEMBL2510363 0.83 AAK1 (0.45) CTSSCTSKPOLBLMNASCN9A
SCHEMBL2510364 0.83 AAK1 (0.45) CTSSCTSKPOLBLMNASCN9A
SCHEMBL12222740 0.80 CTSS (0.43) CTSSCTSKPOLBLMNASCN9A
SCHEMBL2507744 0.80 POLB (0.49) CTSSCTSKPOLBLMNASCN9A

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 2 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-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 CTSS 598/4885CTSK 1268/4885POLB 1278/4885

“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.