SCHEMBL20063683

SCHEMBL20063683

CC1=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C(=O)O)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
CASP6 P55212 2/20 0.46
CTDSP1 Q9GZU7 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
BTK Q06187 1/20 0.43
NFKB1 P19838 4/20 0.41
NFKB2 Q00653 4/20 0.41
RELA Q04206 4/20 0.41
KDM1A O60341 2/20 0.40
MAOB P27338 2/20 0.39
GAA P10253 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAOA P21397 1/20 0.36
EPHX2 P34913 1/20 0.36
GRK2 P25098 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BRD9 Q9H8M2 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
SCHEMBL20072874 0.82 BTK (0.41) POLBBTKNFKB1NFKB2RELA
SCHEMBL20063690 0.81 NFKB1 (0.42) BTKNFKB1NFKB2RELAKDM1A
SCHEMBL20063769 0.81 NFKB1 (0.42) BTKNFKB1NFKB2RELAKDM1A
SCHEMBL20063881 0.81 KDM1A (0.38) BTKNFKB1NFKB2RELAKDM1A
SCHEMBL20063892 0.81 KDM1A (0.38) BTKNFKB1NFKB2RELAKDM1A
SCHEMBL31620129 0.79 BTK (0.48) POLBTDP1BTKNFKB1NFKB2
SCHEMBL20063686 0.79 NFKB1 (0.40) BTKNFKB1NFKB2RELAKDM1A
SCHEMBL20063755 0.79 NFKB1 (0.40) BTKNFKB1NFKB2RELAKDM1A
SCHEMBL21294874 0.77 KAT6A (0.38) POLBTDP1BTKNFKB1NFKB2
SCHEMBL29481998 0.77 KAT6A (0.38) POLBTDP1BTKNFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 POLB 4677/4885CASP6 3508/4885CTDSP1 4552/4885

“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.