SCHEMBL4178261

SCHEMBL4178261

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1CN(Cc2ccccc2)CCO1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
CTSS P25774 4/20 0.45
CTSK P43235 3/20 0.45
CTSL P07711 2/20 0.45
CTSB P07858 2/20 0.45
REN P00797 6/20 0.45
GRN P28799 1/20 0.44
SORT1 Q99523 1/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
PSMB5 P28074 1/20 0.42

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
SCHEMBL1502287 0.85 DRD4 (0.52)
SCHEMBL3607018 0.85 DRD4 (0.52)
SCHEMBL13853942 0.85 DRD4 (0.52)
SCHEMBL17152556 0.81 DRD4 (0.50) GRNSORT1
SCHEMBL7400619 0.79 UTS2R (0.62) MAPK1
SCHEMBL7415020 0.79 UTS2R (0.62) MAPK1
SCHEMBL7402928 0.79 UTS2R (0.62) MAPK1
SCHEMBL7403794 0.77 UTS2R (0.55) MAPK1CTSKRENBCHEACHE
SCHEMBL4185698 0.77 KMT2A (0.40) CTSSCTSKCTSLCTSB
SCHEMBL4318397 0.76 CTSK (0.49) MAPK1CTSKRENBCHEACHE

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-20090124619-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-05-14 US disclosed
US-20090124619-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-05-14 US disclosed
US-20090124619-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-05-14 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-20090124619-A1 NOVEL COMPOUNDS TRPV4, TRPC4, TRPV1 MAPK1 1920/4885CTSS 1717/4885CTSK 1738/4885

“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.