SCHEMBL29335283

SCHEMBL29335283

Cc1c(C(F)(F)F)cccc1S(=O)(=O)Nc1ccc(F)c(N)c1F

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 11/20 0.51
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ PTGES2 Q9H7Z7 2/20 0.41
▸ SLC40A1 Q9NP59 2/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CYP2C19 P33261 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
SCHEMBL29335256 0.85 SLC40A1 (0.54) SLC22A12PTGES2SLC40A1TSHR
SCHEMBL29335301 0.82 SLC22A12 (0.47) SLC22A12PTGES2SLC40A1CYP2D6
SCHEMBL29335255 0.82 SLC40A1 (0.51) PTGES2SLC40A1
SCHEMBL29335302 0.80 PTGES2 (0.41) MEN1KMT2AALDH1A1PTGES2SLC40A1
SCHEMBL29335298 0.79 PTGES2 (0.47) SLC22A12PTGES2SLC40A1
SCHEMBL3022491 0.78 PTGES2 (0.52) SLC22A12ALDH1A1PTGES2TSHR
SCHEMBL29335303 0.78 ACLY (0.39) ALDH1A1PTGES2SLC40A1TSHR
SCHEMBL29335290 0.77 PTGES2 (0.47) PTGES2TSHR
SCHEMBL30897292 0.75 PTGES2 (0.61) PTGES2SLC40A1
SCHEMBL29335307 0.75 SLC40A1 (0.43) PTGES2SLC40A1CYP3A4CYP2C19

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 2 patents. 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
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 SLC22A12 2945/4885MEN1 2257/4885KMT2A 2665/4885

“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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