SCHEMBL5698606

SCHEMBL5698606

Cc1cc(-c2ccc(Cl)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.76
CHRNA7 P36544 5/20 0.70
PTGS1 P23219 3/20 0.70
PDPK1 O15530 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.66

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
SCHEMBL5698671 1.00 PTGS2 (0.76) PTGS2CHRNA7PTGS1PDPK1SMN1; SMN2
SCHEMBL2602400 0.89 PTGS2 (0.80) PTGS2PTGS1PDPK1
SCHEMBL2615132 0.87 PTGS2 (0.76) PTGS2CHRNA7PTGS1PDPK1
SCHEMBL5226958 0.86 PTGS2 (1.00) PTGS2PTGS1PDPK1
SCHEMBL6344415 0.86 PTGS2 (0.73) PTGS2CHRNA7PTGS1PDPK1SMN1; SMN2
SCHEMBL14280457 0.86 PTGS2 (0.90) PTGS2PTGS1PDPK1
SCHEMBL5698697 0.85 PTGS2 (0.88) PTGS2CHRNA7PTGS1PDPK1SMN1; SMN2
SCHEMBL3103964 0.85 PTGS2 (0.78) PTGS2PTGS1PDPK1
SCHEMBL212983 0.85 PTGS2 (0.83) PTGS2CHRNA7PTGS1PDPK1
SCHEMBL8121503 0.85 PTGS2 (0.83) PTGS2CHRNA7PTGS1PDPK1

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-20080027011-A1 Homogeneous paste and gel formulations MERIAL LIMITED 2008-01-31 US disclosed
EP-1682143-A2 COMBINATIONS COMPRISING AN HSP90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA Pharmacia Corporation (US) 2006-07-26 EP disclosed
WO-2005044194-A2 TREATMENT OR PREVENTION OF NEOPLASIA BY USE OF AN Hsp90 INHIBITOR PHARMACIA CORPORATION (US) 2005-05-19 WO disclosed
WO-2005041879-A2 COMBINATIONS COMPRISING AN Hsp90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA PHARMACIA CORPORATION (US) 2005-05-12 WO 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-20080027011-A1 Homogeneous paste and gel formulations EPX, CAT, PEF1 PTGS2 329/4885CHRNA7 4619/4885PTGS1 101/4885

“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.