SCHEMBL29335304

SCHEMBL29335304

Cc1c(S(=O)(=O)Nc2ccc(F)c(N)c2F)ccc(Cl)c1F

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 7/20 0.44
▸ PTGES2 Q9H7Z7 1/20 0.42
▸ PIK3CD O00329 2/20 0.41
▸ PIK3CA P42336 2/20 0.41
▸ PIK3CB P42338 2/20 0.41
▸ PIK3CG P48736 2/20 0.41
▸ MCL1 Q07820 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SLC40A1 Q9NP59 2/20 0.40
▸ NHERF1 O14745 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ ACLY P53396 1/20 0.40
▸ ERN1 O75460 1/20 0.39

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 0.89 PTGES2 (0.41) CCR2PTGES2PIK3CDPIK3CAPIK3CB
SCHEMBL29335303 0.86 ACLY (0.39) CCR2PTGES2PIK3CDPIK3CAPIK3CB
SCHEMBL29335255 0.85 SLC40A1 (0.51) CCR2PTGES2PIK3CDPIK3CAPIK3CB
SCHEMBL29335270 0.82 ALDH1A1 (0.50) PTGES2TSHRHPGDUSP2ALDH1A1
SCHEMBL29335266 0.82 FABP4 (0.50) TSHRHPGDUSP2ALDH1A1TP53
SCHEMBL29335253 0.81 PTGES2 (0.53) CCR2PTGES2PIK3CDPIK3CAPIK3CB
SCHEMBL29335256 0.81 SLC40A1 (0.54) CCR2PTGES2PIK3CDPIK3CAPIK3CB
SCHEMBL30897292 0.78 PTGES2 (0.61) CCR2PTGES2SLC40A1ACLY
SCHEMBL29335307 0.78 SLC40A1 (0.43) PTGES2PIK3CDPIK3CAPIK3CBPIK3CG
Hydrochloric Acid SCHEMBL31588089 0.77 PTGES2 (0.60) CCR2PTGES2SLC40A1ACLY

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 CCR2 1702/4885PTGES2 3901/4885PIK3CD 337/4885

“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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