SCHEMBL22804333

SCHEMBL22804333

CCc1cc(B(O)O)ccc1OCCNC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.46
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
CA9 Q16790 5/20 0.46
PDK2 Q15119 1/20 0.41
IDO1 P14902 3/20 0.40
SCN9A Q15858 1/20 0.40
ADRB2 P07550 1/20 0.39
HTR1A P08908 1/20 0.39
NQO2 P16083 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP3A43 Q9HB55 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL29366962 1.00 CA12 (0.46) CA12CA1CA2CA9PDK2
SCHEMBL182796 0.86 CA12 (0.46) CA12CA1CA2CA9PDK2
SCHEMBL29293585 0.83 SCN9A (0.48) CA12CA1CA2CA9PDK2
SCHEMBL4482701 0.83 CA12 (0.47) CA12CA1CA2CA9PDK2
SCHEMBL182645 0.82 CA12 (0.46) CA12CA1CA2CA9CYP1A1
SCHEMBL22804766 0.80 CA12 (0.64) CA12CA1CA2CA9PDK2
SCHEMBL3413611 0.77 KDM4E (0.41) L3MBTL1
SCHEMBL29366130 0.76 AAK1 (0.51) CA12CA1CA2CA9PDK2
SCHEMBL23199607 0.76 NQO2 (0.47) CA1CA2IDO1NQO2TDP1
SCHEMBL18591142 0.76 SCN9A (0.51) CA12CA1CA2CA9PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12479849-B2 EGFR inhibitors for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2025-11-25 US disclosed
EP-3986896-B1 EGFR INHIBITORS FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2023-03-15 EP disclosed
US-20230054473-A1 EGFR INHIBITORS FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2023-02-23 US disclosed
EP-3986896-A1 EGFR INHIBITORS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2022-04-27 EP disclosed
WO-2020254572-A1 EGFR INHIBITORS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2020-12-24 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 (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-20230054473-A1 EGFR INHIBITORS FOR THE TREATMENT OF CANCER EGFR, ERBB2, ERBB3 CA12 4560/4885CA1 4860/4885CA2 2748/4885
US-12479849-B2 EGFR inhibitors for the treatment of cancer EGFR, ERBB2, ERBB3 CA12 4594/4885CA1 4851/4885CA2 2808/4885

“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.