SCHEMBL3086475

SCHEMBL3086475

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC1CCCCN1C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 19/20 0.53
CTSS P25774 9/20 0.53
CTSL P07711 9/20 0.53
CTSB P07858 3/20 0.53

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
SCHEMBL15966110 0.91 CTSK (0.51) CTSKCTSSCTSLCTSB
SCHEMBL16474289 0.87 PRMT5 (0.47) CTSL
SCHEMBL30511036 0.86 KDM1A (0.53) CTSL
SCHEMBL20528094 0.86 KDM1A (0.53) CTSL
SCHEMBL20522962 0.86 KDM1A (0.53) CTSL
SCHEMBL4738328 0.83 OPRD1 (0.53)
SCHEMBL337363 0.83 OPRD1 (0.53)
SCHEMBL336766 0.83 OPRD1 (0.53)
SCHEMBL4188272 0.83 CTSK (0.57) CTSKCTSSCTSLCTSB
SCHEMBL28456201 0.81 ATM (0.49) CTSKCTSSCTSLCTSB

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-20100227856-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2010-09-09 US disclosed
US-20100227856-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2010-09-09 US disclosed
US-20100227856-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2010-09-09 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-20100227856-A1 NOVEL COMPOUNDS TRPV4, TRPV1, TRPA1 CTSK 3178/4885CTSS 2197/4885CTSL 3889/4885

“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.