SCHEMBL8466587

SCHEMBL8466587

O=S(=O)(Nc1[c]cc(F)cc1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.40
PTGS2 P35354 5/20 0.39
PTGS1 P23219 4/20 0.39
CA2 P00918 12/20 0.39
PTPN11 Q06124 1/20 0.39
CA1 P00915 6/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4153477 0.73 CA2 (0.45) PTPN1PTGS2PTGS1CA2PTPN11
SCHEMBL7527132 0.71 PTPN1 (0.66) PTPN1PTGS2PTGS1CA2PTPN11
SCHEMBL6658979 0.67 CA2 (0.67) PTGS2PTGS1CA2CA1SMN1; SMN2
SCHEMBL10625554 0.66 CA2 (0.66) PTGS2PTGS1CA2CA1
SCHEMBL8318603 0.66 PTPN1 (0.41) PTPN1PTGS2PTGS1CA2PTPN11
SCHEMBL17917630 0.63 CA2 (0.50) PTGS2PTGS1CA2CA1
SCHEMBL9202460 0.63 CA2 (0.44) PTPN1PTGS2PTGS1CA2PTPN11
SCHEMBL5645014 0.63 MEN1 (0.44) CA2CA1SMN1; SMN2
SCHEMBL688320 0.62 PTPN11 (0.61) PTPN1CA2PTPN11CA1MAPK1
SCHEMBL1419244 0.61 CA2 (0.53) PTPN1PTGS2PTGS1CA2PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0963755-A2 Use of benzopyranes for preventing allograft rejection Pfizer Products Inc. (US) 1999-12-15 EP claimed
EP-0943339-A2 Method of preventing allograft rejection Pfizer Products Inc. (US) 1999-09-22 EP claimed
EP-0836850-A2 Method of preventing allograft rejection PFIZER INC. (US) 1998-04-22 EP claimed
EP-0963755-A2 Use of benzopyranes for preventing allograft rejection Pfizer Products Inc. (US) 1999-12-15 EP disclosed
EP-0943339-A2 Method of preventing allograft rejection Pfizer Products Inc. (US) 1999-09-22 EP disclosed
US-5948813-A Method of preventing allograft rejection PFIZER INC. (US) 1999-09-07 US disclosed
EP-0836850-A2 Method of preventing allograft rejection PFIZER INC. (US) 1998-04-22 EP disclosed