SCHEMBL25833637

SCHEMBL25833637

COCC(C)c1cc(F)cc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.32
TDO2 P48775 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
AOC3 Q16853 1/20 0.31

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
SCHEMBL25833262 0.87 SLC6A2 (0.34)
SCHEMBL2393968 0.84 ALDH1A1 (0.32)
SCHEMBL16224877 0.78 AOC3 (0.42) IDO1TDO2AOC3
SCHEMBL17086661 0.78 AOC3 (0.42) IDO1TDO2AOC3
SCHEMBL17086659 0.78 AOC3 (0.42) IDO1TDO2AOC3
SCHEMBL12891861 0.77 USP2 (0.31)
SCHEMBL10244197 0.75 USP2 (0.44) CES2CES1
SCHEMBL10244133 0.75 USP2 (0.44) CES2CES1
SCHEMBL15445117 0.75 USP2 (0.44) CES2CES1
SCHEMBL16770966 0.74 SLC6A2 (0.36) IDO1TDO2AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227451-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV DISCOVERY (FR) 2023-07-20 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 (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-20230227451-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS MAPKAPK2, MAPK1, MAPK7 IDO1 917/4885TDO2 2261/4885CES2 2735/4885

“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.