SCHEMBL22089799

SCHEMBL22089799

CCOC(=O)c1cc(OC(F)(F)F)cc(C2CCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
KDM2B Q8NHM5 1/20 0.38
POLB P06746 2/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ELANE P08246 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36

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
SCHEMBL22926204 0.80 MRGPRX4 (0.41) EPHX2CA12CA1CA2CA7
SCHEMBL29672155 0.80 MRGPRX4 (0.41) EPHX2CA12CA1CA2CA7
SCHEMBL22089756 0.77 VNN1 (0.45) EPHX2POLBRAB9ALMNA
SCHEMBL2829423 0.76 CA1 (0.49) EPHX2CA12CA1CA2CA7
SCHEMBL21466186 0.76 AURKA (0.44) EPHX2TAS1R3TAS1R1TAS1R2
SCHEMBL29639652 0.76 AURKA (0.44) EPHX2TAS1R3TAS1R1TAS1R2
SCHEMBL13290826 0.75 CA12 (0.47) EPHX2CA12CA1CA2CA7
SCHEMBL20196330 0.74 FFAR4 (0.45) ALDH1A1
SCHEMBL22092817 0.74 CA12 (0.46) EPHX2CA12CA1CA2CA7
SCHEMBL5390528 0.71 KMO (0.59) ALDH1A1MAPK1SMN1; SMN2ALOX15RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113412113-B Amino oxazinamides 豪夫迈·罗氏有限公司 2024-07-26 CN disclosed
US-20210363152-A1 AMINOAZINE AMIDES HOFFMANN LA ROCHE (US) 2021-11-25 US disclosed
CN-113412113-A Aminooxazine amides 豪夫迈·罗氏有限公司 2021-09-17 CN disclosed
EP-3873473-A1 AMINOAZINE AMIDES F. Hoffmann-La Roche AG (CH) 2021-09-08 EP disclosed
WO-2020123426-A1 AMINOAZINE AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2020-06-18 WO disclosed
WO-2020119896-A1 HETEROCYCLIC INHIBITORS OF ATX F. HOFFMANN-LA ROCHE AG (CH) 2020-06-18 WO 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-20210363152-A1 AMINOAZINE AMIDES SLC6A15, SLC1A5, SLC7A5 EPHX2 3708/4885CA12 363/4885CA1 1306/4885

“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.