SCHEMBL3336362

SCHEMBL3336362

Cn1nccc1-c1ccc(C(=O)NC(Cc2ccccc2)CN(C(=O)O)C(C)(C)C)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 4/20 0.43
HDAC6 Q9UBN7 4/20 0.43
TRPM8 Q7Z2W7 1/20 0.40
CTSV O60911 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
HDAC1 Q13547 1/20 0.38
ROCK2 O75116 7/20 0.38
ROCK1 Q13464 4/20 0.38
HDAC8 Q9BY41 3/20 0.38
PIN1 Q13526 1/20 0.37

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
SCHEMBL3333558 0.88 CTSV (0.41) HDAC4HDAC6CTSVCTSLCTSB
SCHEMBL3337876 0.86 ROCK2 (0.48) HDAC4HDAC6TRPM8CTSVCTSL
SCHEMBL13300017 0.82 ATM (0.42) HDAC4HDAC6TRPM8CTSVCTSL
SCHEMBL3330752 0.81 HDAC4 (0.46) HDAC4HDAC6TRPM8HDAC1ROCK2
SCHEMBL4553029 0.80 TRPM8 (0.41) TRPM8CTSVCTSLCTSBCTSS
SCHEMBL4432711 0.79 CTSL (0.39) HDAC4HDAC6TRPM8CTSVCTSL
SCHEMBL1530008 0.79 HDAC8 (0.38) HDAC4HDAC6CTSVCTSLCTSB
SCHEMBL1529754 0.78 HDAC8 (0.38) HDAC4HDAC6CTSVCTSLCTSB
SCHEMBL1529393 0.78 MCL1 (0.38) CTSVCTSLCTSBCTSSROCK2
SCHEMBL1529712 0.78 HDAC8 (0.43) HDAC4HDAC6CTSVCTSLCTSB

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-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 HDAC4 674/4885HDAC6 339/4885TRPM8 4679/4885

“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.