SCHEMBL4849640

SCHEMBL4849640

CS(=O)(=O)c1ncc2cc(S(=O)(=O)c3ccccc3)n(-c3ccc(F)cc3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.41
NPSR1 Q6W5P4 3/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 5/20 0.37
CYP1A2 P05177 4/20 0.37
HPGD P15428 2/20 0.37
CYP3A4 P08684 2/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HTR2A P28223 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 3/20 0.35
USP2 O75604 2/20 0.35
CYP2D6 P10635 2/20 0.35
MAPK1 P28482 2/20 0.35
CASP1 P29466 2/20 0.35
CASP7 P55210 2/20 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
SCHEMBL4854091 0.83 ALDH1A1 (0.40) PTGS2NPSR1LMNAALDH1A1CYP1A2
SCHEMBL14163799 0.81 NPSR1 (0.37) PTGS2NPSR1LMNAALDH1A1CYP1A2
SCHEMBL4854391 0.79 PTGS2 (0.40) PTGS2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL14158899 0.79 ALDH1A1 (0.36) PTGS2NPSR1LMNAALDH1A1CYP1A2
SCHEMBL14163800 0.78 PTGS2 (0.36) PTGS2NPSR1LMNAALDH1A1CYP1A2
SCHEMBL4090927 0.76 RIPK2 (0.46) PTGS2ALDH1A1CYP1A2CYP3A4MEN1
SCHEMBL5113615 0.75 BRD4 (0.44) ALDH1A1CYP1A2MEN1KMT2AHSD17B10
SCHEMBL4855182 0.74 PIK3CA (0.41) ALDH1A1CYP1A2HPGDGAAHSD17B10
SCHEMBL4855901 0.72 PTGS2 (0.37) PTGS2NPSR1LMNAALDH1A1GAA
SCHEMBL4849650 0.68 PTGS2 (0.39) PTGS2NPSR1LMNAALDH1A1CYP1A2

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-20080139588-A1 Pyrrolo[2,3-d]pyrimidine cytokine inhibitors THE PROCTER & GAMBLE COMPANY 2008-06-12 US disclosed
US-7319102-B1 Pyrrolo[2,3-d]pyrimidine cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2008-01-15 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-20080139588-A1 Pyrrolo[2,3-d]pyrimidine cytokine inhibitors DPYD, IL1B, IL6 PTGS2 205/4885NPSR1 2223/4885LMNA 4398/4885

“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.