SCHEMBL20072874

SCHEMBL20072874

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.41
NFKB1 P19838 5/20 0.39
NFKB2 Q00653 5/20 0.39
RELA Q04206 5/20 0.39
KDM1A O60341 2/20 0.38
HDAC4 P56524 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MAOB P27338 2/20 0.37
GAA P10253 2/20 0.35
MAOA P21397 1/20 0.34
EPHX2 P34913 1/20 0.34
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL20072993 0.83 NFKB1 (0.40) BTKNFKB1NFKB2RELAKDM1A
SCHEMBL21838549 0.83 NFKB1 (0.40) BTKNFKB1NFKB2RELAKDM1A
SCHEMBL20063683 0.82 POLB (0.46) BTKNFKB1NFKB2RELAKDM1A
SCHEMBL20072764 0.81 NFKB1 (0.38) BTKNFKB1NFKB2RELAKDM1A
SCHEMBL20072766 0.80 NFKB1 (0.36) BTKNFKB1NFKB2RELAKDM1A
SCHEMBL20072839 0.80 HDAC4 (0.41) BTKNFKB1NFKB2RELAKDM1A
SCHEMBL20063770 0.78 HDAC4 (0.37) BTKNFKB1NFKB2RELAKDM1A
SCHEMBL20073036 0.77 CHRNA7 (0.37) NFKB1NFKB2RELAKDM1AHDAC4
SCHEMBL20063844 0.77 CHRNA7 (0.37) NFKB1NFKB2RELAKDM1AHDAC4
SCHEMBL31620129 0.76 BTK (0.48) BTKNFKB1NFKB2RELAKDM1A

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-10457654-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2019-10-29 US disclosed
WO-2018072602-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-26 WO 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 BTK 647/4885NFKB1 367/4885NFKB2 1669/4885
US-10457654-B2 Therapeutic compounds and methods of use thereof NPY5R, REN, F12 BTK 647/4885NFKB1 367/4885NFKB2 1669/4885
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 BTK 645/4885NFKB1 355/4885NFKB2 1652/4885

“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.