Sugi Predict

Sugi Predict / Compounds / Sulfamide

Sulfamide

Sulfamide

SCHEMBL4639002

COc1ccc(-c2oc(C(F)(F)F)nc2-c2ccccc2)cc1F.NS(N)(=O)=O

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 13/20 0.46
▸ PTGS1 P23219 11/20 0.46
▸ MIF P14174 2/20 0.40
▸ HPGD P15428 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PPARD Q03181 1/20 0.38

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
SCHEMBL8140595 0.93 MIF (0.43) PTGS2PTGS1MIFHPGDNFKB1
SCHEMBL213239 0.89 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL8153075 0.86 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL8147501 0.85 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL6250172 0.83 MIF (0.43) PTGS2PTGS1MIFHPGDNFKB1
SCHEMBL8148251 0.82 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL8146570 0.81 MAPK13 (0.42) PTGS2PTGS1MIFMAPK1SMN1; SMN2
SCHEMBL8552370 0.81 PTGS2 (0.38) PTGS2PTGS1HPGDNFKB1MAPK1
SCHEMBL8909449 0.78 PTGS2 (0.42) PTGS2PTGS1MIFSMN1; SMN2MAPT
SCHEMBL8148999 0.78 MAPK13 (0.52) PTGS2PTGS1HPGDNFKB1MAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1479385-B1 Use of cyclooxygenase-2 inhibitors in the treatment and prevention of neoplasia SEARLE LLC (US) 2008-07-02 — — EP claimed