SCHEMBL20072855

SCHEMBL20072855

CC(C)(C)OC(=O)N[C@H]1CC=C(c2ccc(C(F)(F)F)cc2)C[C@@H]1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
KDM1A O60341 2/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
MAPT P10636 1/20 0.35
RORC P51449 2/20 0.35
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
KIF11 P52732 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SCN9A Q15858 2/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34

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
SCHEMBL20063878 0.87 KDM1A (0.39) HDAC4HDAC6KDM1ANFKB1NFKB2
SCHEMBL20063868 0.87 KDM1A (0.39) HDAC4HDAC6KDM1ANFKB1NFKB2
SCHEMBL20063728 0.87 RXFP1 (0.40) HDAC4HDAC6KDM1ARORCKIF11
SCHEMBL21838623 0.87 RXFP1 (0.40) HDAC4HDAC6KDM1ARORCKIF11
SCHEMBL20072839 0.85 HDAC4 (0.41) HDAC4HDAC6KDM1ACYP11B1CYP11B2
SCHEMBL20073052 0.84 HDAC4 (0.41) HDAC4HDAC6KDM1ACYP11B1CYP11B2
SCHEMBL20072838 0.82 HDAC4 (0.39) HDAC4HDAC6KDM1ACYP11B1CYP11B2
SCHEMBL21838549 0.79 NFKB1 (0.40) HDAC4HDAC6KDM1ARORCNFKB1
SCHEMBL20072993 0.79 NFKB1 (0.40) HDAC4HDAC6KDM1ARORCNFKB1
SCHEMBL21306729 0.79 KAT6A (0.38) KDM1ANFKB1NFKB2RELAMAOB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-04-16 US disclosed
US-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-04-16 US disclosed
US-10457654-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2019-10-29 US disclosed
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-19 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 (3 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-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 HDAC4 1679/4885HDAC6 1003/4885KDM1A 2698/4885
US-10457654-B2 Therapeutic compounds and methods of use thereof NPY5R, REN, F12 HDAC4 1679/4885HDAC6 1003/4885KDM1A 2698/4885
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 HDAC4 1841/4885HDAC6 1108/4885KDM1A 2873/4885

“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.