SCHEMBL29335303

SCHEMBL29335303

Cc1ccc(S(=O)(=O)Nc2ccc(F)c(N)c2F)c(C)c1F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 1/20 0.39
▸ CCR2 P41597 4/20 0.39
▸ FABP4 P15090 1/20 0.38
▸ IDH1 O75874 1/20 0.37
▸ SLC40A1 Q9NP59 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ PTGES2 Q9H7Z7 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ METAP2 P50579 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ PIK3CG P48736 1/20 0.36

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 0.91 PTGES2 (0.41) ACLYCCR2FABP4IDH1SLC40A1
SCHEMBL29335304 0.86 CCR2 (0.44) ACLYCCR2SLC40A1ALDH1A1PTGES2
SCHEMBL29335266 0.84 FABP4 (0.50) ACLYFABP4ALDH1A1TSHRPOLB
SCHEMBL29335256 0.83 SLC40A1 (0.54) ACLYCCR2SLC40A1PTGES2TSHR
SCHEMBL29335307 0.81 SLC40A1 (0.43) SLC40A1PTGES2PIK3CDPIK3CAPIK3CB
SCHEMBL29335255 0.80 SLC40A1 (0.51) ACLYCCR2SLC40A1PTGES2PIK3CD
SCHEMBL29335270 0.79 ALDH1A1 (0.50) ACLYFABP4ALDH1A1PTGES2TSHR
SCHEMBL3019464 0.78 CCR2 (0.59) ACLYCCR2PTGES2TSHRPOLB
SCHEMBL30681726 0.78 VSIR (0.37) CCR2FABP4IDH1SLC40A1PTGES2
SCHEMBL27146891 0.78 VSIR (0.37) CCR2FABP4IDH1SLC40A1PTGES2

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 ACLY 3912/4885CCR2 1702/4885FABP4 4665/4885

“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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