SCHEMBL21521028

SCHEMBL21521028

CC(C)(C)OC(=O)NCCc1ccc(CF)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.55
CA1 P00915 3/20 0.55
NAMPT P43490 1/20 0.54
GLA P06280 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 2/20 0.46
MAPT P10636 1/20 0.46
NQO2 P16083 1/20 0.46
LMNA P02545 1/20 0.46
PTGER4 P35408 1/20 0.45
IDO1 P14902 1/20 0.45
CTSK P43235 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL14326995 0.88 CA2 (0.55) CA2CA1NAMPTLMNACTSK
SCHEMBL12283041 0.86 NPC1 (0.60) CA2CA1NAMPTGLAKMT2A
SCHEMBL27741035 0.86 CA2 (0.56) CA2CA1NAMPTGLAKMT2A
SCHEMBL100146 0.86 KDM4E (0.60) CA2CA1NAMPTGLAKMT2A
SCHEMBL1569661 0.86 CA2 (0.56) CA2CA1NAMPTGLAKMT2A
SCHEMBL15599542 0.85 NAMPT (0.56) CA2CA1NAMPTGLAKMT2A
SCHEMBL23449213 0.84 CA2 (0.58) CA2CA1NAMPTGLAKMT2A
SCHEMBL1065312 0.84 CA2 (0.55) CA2CA1NAMPTTDP1MAPT
SCHEMBL11961188 0.84 CA2 (0.55) CA2CA1NAMPTGLAKMT2A
SCHEMBL5264226 0.84 CA2 (0.58) CA2CA1NAMPTGLAKMT2A

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-10654834-B2 Non-systemic TGR5 agonists Venenum Biodesign, LLC (US) 2020-05-19 US disclosed
US-10654834-B2 Non-systemic TGR5 agonists Venenum Biodesign, LLC (US) 2020-05-19 US disclosed
US-20190330191-A1 NOVEL NON-SYSTEMIC TGR5 AGONISTS Venenum Biodesign, LLC (US) 2019-10-31 US disclosed
US-20190330191-A1 NOVEL NON-SYSTEMIC TGR5 AGONISTS Venenum Biodesign, LLC (US) 2019-10-31 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 (2 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-20190330191-A1 NOVEL NON-SYSTEMIC TGR5 AGONISTS GPR119, FFAR1, FFAR3 CA2 1250/4885CA1 3214/4885NAMPT 2464/4885
US-10654834-B2 Non-systemic TGR5 agonists GPR119, SSTR5, FFAR3 CA2 1042/4885CA1 3024/4885NAMPT 2548/4885

“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.