SCHEMBL30945166

SCHEMBL30945166

Fc1cc(SC(F)(F)F)ccc1COC1CNC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 8/20 0.36
CTSK P43235 1/20 0.35
PTPRZ1 P23471 1/20 0.34
SLC6A4 P31645 3/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
IDO1 P14902 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
SCHEMBL25944446 0.83 SLC6A4 (0.38) NAAACTSKSLC6A4SLC6A2SLC6A3
SCHEMBL21984758 0.79 IDO1 (0.55) NAAASLC6A4SLC6A2SLC6A3IDO1
SCHEMBL27246487 0.78 IDO1 (0.51) NAAASLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL21722847 0.78 NAAA (0.44) NAAACTSKSLC6A4SLC6A2SLC6A3
SCHEMBL27138919 0.78 LMNA (0.36) NAAACTSK
SCHEMBL30945246 0.76 SLC6A4 (0.45) SLC6A4
SCHEMBL29277472 0.74 ALDH1A1 (0.40) NAAACTSKPTPRZ1
SCHEMBL25943837 0.74 NAAA (0.36) NAAACTSKSLC6A4SLC6A2SLC6A3
SCHEMBL25326344 0.74 GPR119 (0.43)
SCHEMBL25296511 0.73 NAAA (0.38) NAAACTSKSLC6A4SLC6A2SLC6A3

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-20240199587-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-06-20 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-20240199587-A1 HETEROCYCLIC COMPOUNDS CYP1B1, CYP1A1, CYP4B1 NAAA 1979/4885CTSK 2643/4885PTPRZ1 3088/4885

“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.