SCHEMBL29335307

SCHEMBL29335307

Cc1nccc(S(=O)(=O)Nc2ccc(F)c(N)c2F)c1C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 4/20 0.43
▸ PIK3C3 Q8NEB9 2/20 0.38
▸ PIK3CA P42336 2/20 0.37
▸ PIK3CD O00329 1/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ EDNRA P25101 1/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ BRAF P15056 2/20 0.35
▸ KIT P10721 1/20 0.35
▸ PTGES2 Q9H7Z7 2/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ ERN1 O75460 1/20 0.35

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
SCHEMBL29335302 0.83 PTGES2 (0.41) SLC40A1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL29335303 0.81 ACLY (0.39) SLC40A1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL29335256 0.81 SLC40A1 (0.54) SLC40A1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL29335304 0.78 CCR2 (0.44) SLC40A1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL29335255 0.77 SLC40A1 (0.51) SLC40A1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL29335266 0.76 FABP4 (0.50) LMNACYP3A4CYP2C9CYP2C19
SCHEMBL30681726 0.76 VSIR (0.37) SLC40A1CYP2C9PTGES2ERN1
SCHEMBL27146891 0.76 VSIR (0.37) SLC40A1CYP2C9PTGES2ERN1
SCHEMBL3022491 0.76 PTGES2 (0.52) LMNAEDNRABRAFKITPTGES2
SCHEMBL29335283 0.75 SLC22A12 (0.51) SLC40A1CYP3A4PTGES2CYP2C19

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-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2024-07-18 — — 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-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF NRAS, BRAF, KRAS SLC40A1 2934/4885PIK3C3 86/4885PIK3CA 33/4885

“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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