SCHEMBL3869745

SCHEMBL3869745

COc1c(F)cc(F)c(C(=O)CC(=O)O)c1F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
FFAR4 Q5NUL3 2/20 0.36
STING1 Q86WV6 2/20 0.36
FFAR1 O14842 1/20 0.36
MEP1B Q16820 1/20 0.36
TUBB1 Q9H4B7 2/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
GFER P55789 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
CTSA P10619 1/20 0.33

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
SCHEMBL29411714 0.81 MEN1 (0.44) MEN1KMT2AMEP1BTUBB1ALDH1A1
SCHEMBL203637 0.81 MEN1 (0.44) MEN1KMT2AMEP1BTUBB1ALDH1A1
SCHEMBL5739395 0.78 ALDH1A1 (0.44) MEN1KMT2AFFAR4STING1FFAR1
SCHEMBL202056 0.76 TSHR (0.38) MEN1KMT2ASTING1MEP1BTUBB1
SCHEMBL8013023 0.75 CA1 (0.38) MEN1KMT2AFFAR4FFAR1SMN1; SMN2
SCHEMBL5469287 0.74 CRBN (0.37) MEN1KMT2AFFAR4STING1FFAR1
SCHEMBL1344665 0.74 STING1 (0.36) MEN1KMT2AFFAR4STING1FFAR1
SCHEMBL8926662 0.72 TSHR (0.37) SMN1; SMN2TSHR
SCHEMBL28583415 0.71 MEN1 (0.42) MEN1KMT2ATUBB1ALDH1A1CYP1A2
SCHEMBL7014647 0.70 MEN1 (0.44) MEN1KMT2AALDH1A1CYP1A2CYP2C9

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
EP-2013182-B1 AMINOQUINOLONES AS GSK-3 INHIBITORS KYORIN SEIYAKU KK (JP) 2013-09-04 EP disclosed
EP-2383271-B1 Aminoquinolones as GSK-3 Inhibitors KYORIN SEIYAKU KK (JP) 2013-07-10 EP disclosed
EP-2013182-A2 AMINOQUINOLONES AS GSK-3 INHIBITORS Activx Biosciences, Inc. (US) 2009-01-14 EP disclosed
US-20070254866-A1 Aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
WO-2007106537-A2 AMINOQUINOLONES AS GSK-3 INHIBITORS ACTIVX BIOSCIENCES, INC. (US) 2007-09-20 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-20070254866-A1 Aminoquinolones as GSK-3 inhibitors GSK3B, GSK3A, GSKIP MEN1 4540/4885KMT2A 539/4885FFAR4 4017/4885

“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.