SCHEMBL23780246

SCHEMBL23780246

O=C(O)C(CF)=NOCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.46
CA1 P00915 7/20 0.46
CTBP2 P56545 2/20 0.44
CA9 Q16790 6/20 0.43
CA12 O43570 4/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.38
PPARG P37231 2/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL19053351 1.00 CA2 (0.46) CA2CA1CTBP2CA9CA12
SCHEMBL20446972 1.00 CA2 (0.46) CA2CA1CTBP2CA9CA12
SCHEMBL11110698 0.84 CTBP2 (0.59) CA2CA1CTBP2CA9CA12
SCHEMBL11110696 0.84 CTBP2 (0.59) CA2CA1CTBP2CA9CA12
SCHEMBL953785 0.83 CA2 (0.46) CA2CA1CTBP2CA9CA12
SCHEMBL953786 0.83 CA2 (0.46) CA2CA1CTBP2CA9CA12
SCHEMBL10525688 0.81 LMNA (0.47) CTBP2ALDH1A1MAPK1SLC6A3KMT2A
SCHEMBL10525696 0.81 LMNA (0.47) CTBP2ALDH1A1MAPK1SLC6A3KMT2A
SCHEMBL9026937 0.79 CA2 (0.43) CA2CA1CTBP2CA9CA12
SCHEMBL5597204 0.78 ALDH1A1 (0.47) CA2CA1CTBP2CA9ALDH1A1

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-20210277001-A1 BIARYL KINASE INHIBITORS Cosmic Pet LLC 2021-09-09 US disclosed
CN-112142655-A Biaryl kinase inhibitors 百时美施贵宝公司 2020-12-29 CN disclosed
CN-108368084-B Biaryl kinase inhibitors 百时美施贵宝公司 2020-10-16 CN 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-20210277001-A1 BIARYL KINASE INHIBITORS AAK1, NCK1, MARCKS CA2 4382/4885CA1 4716/4885CTBP2 1005/4885

“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.