SCHEMBL19083913

SCHEMBL19083913

CC(C)(C)C(=O)NC(C(=O)O)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 1/20 0.33
PDK1 Q15118 2/20 0.32
PDK2 Q15119 2/20 0.32
PDK3 Q15120 2/20 0.32
PDK4 Q16654 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
CNR2 P34972 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL8227494 0.82 CA2 (0.40) POLBALDH1A1
SCHEMBL20697781 0.82 CA2 (0.41) POLBMAPK1ALDH1A1NPSR1MAPT
SCHEMBL11930738 0.82 CA2 (0.41) POLBMAPK1ALDH1A1NPSR1MAPT
SCHEMBL21816921 0.78 ALDH1A1 (0.41) POLBMAPK1ALDH1A1NPSR1MAPT
SCHEMBL19083900 0.77 KDM4E (0.40) ALDH1A1MAPTKDM4E
SCHEMBL24425304 0.74 CA2 (0.39) POLBALDH1A1MAPTPDK1PDK2
SCHEMBL6658444 0.74 CA2 (0.39) POLBALDH1A1MAPTPDK1PDK2
SCHEMBL3484663 0.74 CA1 (0.43) GAA
SCHEMBL1726663 0.74 CA1 (0.43) GAA
SCHEMBL27285099 0.74 CA1 (0.43) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190031607-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-01-31 US disclosed
US-10005724-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2018-06-26 US disclosed
US-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-07-06 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-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 POLB 2801/4885MAPK1 4290/4885ALDH1A1 1155/4885
US-20190031607-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 POLB 2801/4885MAPK1 4290/4885ALDH1A1 1155/4885
US-10005724-B2 Therapeutic compounds and methods of use thereof RDX, C1R, MTX1 POLB 2801/4885MAPK1 4290/4885ALDH1A1 1155/4885

“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.