SCHEMBL3336503

SCHEMBL3336503

Cn1nccc1-c1cccc(NC(=O)C(CN)Cc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.51
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
CTSS P25774 1/20 0.51
HDAC8 Q9BY41 9/20 0.48
CTSD P07339 1/20 0.45
LRRK2 Q5S007 1/20 0.44
GPR142 Q7Z601 6/20 0.44
PORCN Q9H237 1/20 0.43

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
SCHEMBL13300080 1.00 CTSV (0.51) CTSVCTSLCTSBCTSSHDAC8
SCHEMBL3338335 0.84 CTSV (0.46) CTSVCTSLCTSBCTSSHDAC8
SCHEMBL14041575 0.83 ULK1 (0.52) CTSVCTSLCTSBCTSSHDAC8
SCHEMBL3330922 0.83 HDAC8 (0.43) HDAC8
SCHEMBL13300082 0.82 CTSS (0.47) CTSVCTSLCTSBCTSSHDAC8
SCHEMBL4428623 0.79 CTSV (0.49) CTSVCTSLCTSBCTSSHDAC8
SCHEMBL23213820 0.77 PORCN (0.49) CTSVCTSLCTSBCTSSLRRK2
SCHEMBL3332467 0.76 CTSL (0.60) CTSVCTSLCTSBCTSSHDAC8
SCHEMBL6672410 0.75 NPC1 (0.53)
SCHEMBL2302822 0.75 HDAC8 (0.40) CTSVCTSLCTSBCTSSHDAC8

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-20100137338-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-06-03 US claimed
US-8338434-B2 Inhibitors of Akt activity GLAXOSMITHKLINE LLC (US) 2012-12-25 US disclosed
US-20100137338-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-06-03 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-20100137338-A1 INHIBITORS OF Akt ACTIVITY PI4KB, AKT3, AKT2 CTSV 2192/4885CTSL 1703/4885CTSB 1001/4885

“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.