SCHEMBL29335243

SCHEMBL29335243

COc1ccc(S(=O)(=O)Nc2ccc(F)c(N)c2F)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.48
▸ MAPT P10636 1/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ GAA P10253 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ ACLY P53396 1/20 0.45
▸ MAPK1 P28482 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SLC40A1 Q9NP59 2/20 0.44
▸ FFAR4 Q5NUL3 3/20 0.43
▸ FABP4 P15090 1/20 0.42
▸ RAB9A P51151 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ PKM P14618 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HPGD P15428 1/20 0.40

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
SCHEMBL29335242 0.90 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2GAAPOLB
SCHEMBL29335260 0.86 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2GAAACLY
SCHEMBL29335306 0.80 POLB (0.43) SMN1; SMN2GAAPOLBKMT2ALMNA
SCHEMBL29335266 0.79 FABP4 (0.50) ALDH1A1MAPTSMN1; SMN2GAAPOLB
SCHEMBL29335293 0.78 NHERF1 (0.55) ALDH1A1MAPTSMN1; SMN2GAAPOLB
SCHEMBL29335303 0.78 ACLY (0.39) ALDH1A1SMN1; SMN2GAAPOLBACLY
SCHEMBL29335302 0.77 PTGES2 (0.41) ALDH1A1ACLYKMT2ASLC40A1FABP4
SCHEMBL29335270 0.77 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2GAAPOLB
SCHEMBL3019464 0.76 CCR2 (0.59) POLBACLYLMNA
SCHEMBL3020003 0.74 PTGES2 (0.53) ACLYLMNA

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 ALDH1A1 1786/4885MAPT 3495/4885SMN1; SMN2 3303/4885

“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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