SCHEMBL3330752

SCHEMBL3330752

CC(C)(C)N(CC(Cc1ccccc1)NC(=O)c1ccc(O)c(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 4/20 0.46
HDAC6 Q9UBN7 4/20 0.46
PIN1 Q13526 2/20 0.43
CTRB1 P17538 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
HDAC1 Q13547 1/20 0.40
PTPN1 P18031 1/20 0.39
EPHX2 P34913 3/20 0.39
PPARG P37231 3/20 0.39
ROCK2 O75116 4/20 0.38
ROCK1 Q13464 4/20 0.38
EGFR P00533 1/20 0.38
RPS6KA5 O75582 1/20 0.38
RPS6KA4 O75676 1/20 0.38
PRKACA P17612 1/20 0.38
MAPK1 P28482 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
IRAK1 P51617 1/20 0.38
PRKX P51817 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
SCHEMBL3336362 0.81 HDAC4 (0.43) HDAC4HDAC6PIN1TRPM8HDAC1
SCHEMBL13300015 0.78 ATM (0.50) HDAC4HDAC6PIN1CTRB1TRPM8
SCHEMBL4430001 0.76 TRPM8 (0.41) PIN1TRPM8EPHX2PPARGPDK1
SCHEMBL12317276 0.75 MME (0.67)
SCHEMBL18672594 0.75 MME (0.67)
SCHEMBL1530028 0.74 ALDH1A1 (0.42) HDAC4HDAC6PIN1CTRB1ECE1
SCHEMBL1530016 0.74 ALDH1A1 (0.42) HDAC4HDAC6PIN1CTRB1ECE1
SCHEMBL1529737 0.74 ALDH1A1 (0.42) HDAC4HDAC6PIN1CTRB1ECE1
SCHEMBL1529932 0.73 AKT1 (0.43) PIN1CTRB1
SCHEMBL1529863 0.73 ACKR3 (0.47) HDAC4PIN1CTRB1HDAC1ECE1

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 339/4885PIN1 938/4885

“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.