SCHEMBL4854091

SCHEMBL4854091

CSc1ncc2cc(S(=O)(=O)c3ccccc3)n(-c3ccc(F)cc3)c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
LMNA P02545 3/20 0.38
MAPT P10636 3/20 0.38
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
HTR6 P50406 6/20 0.38
NPSR1 Q6W5P4 2/20 0.37
RXFP1 Q9HBX9 3/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
PTGS2 P35354 1/20 0.36
HTR2A P28223 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 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
SCHEMBL14158899 0.86 ALDH1A1 (0.36) ALDH1A1HPGDTSHRHSD17B10LMNA
SCHEMBL4849640 0.83 PTGS2 (0.41) ALDH1A1HPGDTSHRHSD17B10LMNA
SCHEMBL14163799 0.80 NPSR1 (0.37) ALDH1A1HPGDTSHRHSD17B10LMNA
SCHEMBL4852894 0.77 NOTUM (0.39) ALDH1A1HPGDTSHRHSD17B10LMNA
SCHEMBL14163800 0.77 PTGS2 (0.36) ALDH1A1HPGDHSD17B10LMNAMAPT
SCHEMBL4850875 0.76 MAPT (0.38) ALDH1A1LMNAMAPTGAASMN1; SMN2
SCHEMBL4855182 0.74 PIK3CA (0.41) ALDH1A1HPGDTSHRHSD17B10GAA
SCHEMBL5114845 0.73 MAPK14 (0.44) ALDH1A1TSHRHSD17B10CYP1A2MEN1
SCHEMBL29535579 0.73 LYN (0.46) ALDH1A1TSHRHSD17B10LMNAMAPT
SCHEMBL22719087 0.73 LYN (0.46) ALDH1A1TSHRHSD17B10LMNAMAPT

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 4 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-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
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 ALDH1A1 566/4885HPGD 85/4885TSHR 4275/4885

“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.