SCHEMBL4027609

SCHEMBL4027609

CC(C(=O)O)c1cccc(S(N)(=O)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.53
MAPT P10636 3/20 0.53
CXCR1 P25024 2/20 0.53
CXCR2 P25025 2/20 0.53
PTGS2 P35354 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
RECQL P46063 1/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
CYP3A4 P08684 1/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.53
PMP22 Q01453 1/20 0.53
SLC22A6 Q4U2R8 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CXCL8 P10145 1/20 0.53
THPO P40225 1/20 0.53
HIF1A Q16665 1/20 0.53
CA2 P00918 11/20 0.52

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
SCHEMBL27503812 0.85 AKR1C3 (0.67) PTGS1MAPTCXCR1CXCR2PTGS2
SCHEMBL27870611 0.83 PTGS2 (0.57) PTGS1MAPTCXCR1CXCR2PTGS2
SCHEMBL995303 0.83 PTGS1 (0.53) PTGS1MAPTCXCR1CXCR2PTGS2
SCHEMBL832607 0.82 PTGS1 (0.51) PTGS1MAPTCXCR1CXCR2PTGS2
SCHEMBL7137010 0.81 CA2 (0.57) CA2CA1CA12CA9CA4
SCHEMBL84614 0.80 CA2 (0.61) MAPTSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL602096 0.80 PTGS2 (0.69) PTGS1MAPTCXCR1CXCR2PTGS2
SCHEMBL7141530 0.79 CA2 (0.55) CA2CA1CA12CA9CA4
SCHEMBL4631093 0.79 CA2 (0.59) CA2CA1CA12CA9CA4
SCHEMBL8441696 0.79 ALDH1A1 (0.55) PTGS1CXCR1CXCR2PTGS2ALDH1A1

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-7560548-B2 Morpholin-acetamide derivatives for the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2009-07-14 US disclosed
US-20060079525-A1 Morpholin-acetamide derivatives for the treatment of inflammatory diseases ANCLIFF RACHAEL A 2006-04-13 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-20060079525-A1 Morpholin-acetamide derivatives for the treatment of inflammatory diseases ARG1, ARG2, NFKBIA PTGS1 169/4885MAPT 663/4885CXCR1 53/4885

“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.