SCHEMBL29598549

SCHEMBL29598549

COc1cc(-c2ccn(C)n2)ccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN4A P35499 1/20 0.50
▸ KEAP1 Q14145 1/20 0.46
▸ KDM1A O60341 1/20 0.45
▸ KMT2A Q03164 2/20 0.44
▸ PDE4A P27815 3/20 0.43
▸ PDE4B Q07343 3/20 0.43
▸ PDE4C Q08493 3/20 0.43
▸ PDE4D Q08499 3/20 0.43
▸ CYP19A1 P11511 1/20 0.42
▸ PAX8 Q06710 1/20 0.42
▸ PHF8 Q9UPP1 1/20 0.41
▸ PIK3CD O00329 3/20 0.41
▸ PIK3CA P42336 3/20 0.41
▸ PIK3CG P48736 3/20 0.41
▸ PIK3CB P42338 2/20 0.41
▸ PI4KB Q9UBF8 2/20 0.41
▸ PIP5K1C O60331 1/20 0.41
▸ PI4KA P42356 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ EGFR P00533 1/20 0.41

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
SCHEMBL30622179 0.82 KMT2A (0.44) SCN4AKEAP1KMT2APDE4APDE4B
SCHEMBL14277965 0.81 KEAP1 (0.53) SCN4AKEAP1KMT2ACYP19A1PIK3CD
SCHEMBL29133162 0.81 KEAP1 (0.46) SCN4AKEAP1KMT2APDE4APDE4B
SCHEMBL29598492 0.81 KMO (0.48) SCN4AKEAP1KMT2APDE4APDE4B
SCHEMBL17049238 0.81 ALDH1A1 (0.59) SCN4AKEAP1KMT2APDE4APDE4B
SCHEMBL16910765 0.79 KDM4E (0.50) SCN4AKEAP1KMT2ACYP19A1PIK3CD
SCHEMBL29598874 0.78 KCNH2 (0.53) SCN4AKEAP1KMT2ACYP19A1PIK3CD
SCHEMBL27762793 0.78 KMT2A (0.48) SCN4AKEAP1KMT2ABRD4FYN
SCHEMBL29101338 0.78 PDE4A (0.40) KDM1AKMT2APDE4APDE4BPDE4C
SCHEMBL16627912 0.77 KMO (0.48) SCN4AKEAP1KMT2ACYP19A1PIK3CD

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-11304929-B2 Tosylacetate based compounds and derivatives thereof as PHGDH inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-04-19 — — 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-11304929-B2 Tosylacetate based compounds and derivatives thereof as PHGDH inhibitors PHGDH, G6PD, PHPT1 SCN4A 3307/4885KEAP1 1378/4885KDM1A 1620/4885

“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.

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