SCHEMBL6986154

SCHEMBL6986154

O=S(O)c1ccc(-n2cnc(Cl)c2-c2ccc(F)cc2)cc1.[NaH]

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.60
PTGS1 P23219 5/20 0.60
MAPK13 O15264 1/20 0.50
MAPK12 P53778 1/20 0.50
MAPK11 Q15759 1/20 0.50
MAPK14 Q16539 1/20 0.50

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
SCHEMBL6986148 0.85 PTGS2 (0.64) PTGS2PTGS1MAPK13MAPK12MAPK11
SCHEMBL6782968 0.81 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL19953044 0.81 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL6362727 0.76 MAPK13 (0.53) PTGS2PTGS1MAPK13MAPK12MAPK11
SCHEMBL6179878 0.75 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6181102 0.75 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6180868 0.70 PTGS2 (0.55) PTGS2PTGS1MAPK13MAPK12MAPK11
SCHEMBL15208252 0.70 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL161234 0.70 CES2 (0.40) PTGS1
SCHEMBL28797653 0.69 PTGS2 (0.54) PTGS2PTGS1

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-20030114456-A1 Novel heterocylic compounds with anti-inflamatory activity J. URIACH & CIA, S.A. (ES) 2003-06-19 US disclosed
EP-1281709-A1 NOVEL HETEROCYCLIC COMPOUNDS WITH ANTI-INFLAMMATORY ACTIVITY J. URIACH & CIA. S.A. (ES) 2003-02-05 EP 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-20030114456-A1 Novel heterocylic compounds with anti-inflamatory activity IL1B, IL1A, NFKBIA PTGS2 23/4885PTGS1 7/4885MAPK13 1800/4885

“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.