SCHEMBL6951978

SCHEMBL6951978

CS(=O)(=O)c1ccc(Nc2cc(F)ccc2C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CLCN2 P51788 1/20 0.51
AKR1C3 P42330 9/20 0.49
AKR1C2 P52895 9/20 0.49
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
TYK2 P29597 1/20 0.47
JAK3 P52333 1/20 0.47
SOS1 Q07889 1/20 0.46
PTPN1 P18031 1/20 0.44
PTGS2 P35354 1/20 0.44
CSF1R P07333 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL4218122 0.90 CSF1R (0.53) AKR1C3AKR1C2PTGS2CSF1R
SCHEMBL21327632 0.82 AKR1C3 (0.65) CLCN2AKR1C3AKR1C2
SCHEMBL848085 0.81 AKR1C3 (0.60) CLCN2AKR1C3AKR1C2JAK2JAK1
SCHEMBL30294732 0.80 CLCN2 (0.48) CLCN2PTGS2LMNA
SCHEMBL22853344 0.80 CLCN2 (0.48) CLCN2PTGS2LMNA
SCHEMBL6944176 0.80 AKR1C3 (0.48) CLCN2AKR1C3AKR1C2
SCHEMBL6950478 0.79 AKR1C3 (0.50) CLCN2AKR1C3AKR1C2
SCHEMBL13890925 0.77 CSF1R (0.51) PTGS2CSF1R
SCHEMBL4209141 0.76 SOS1 (0.54) SOS1PTGS2
SCHEMBL4229254 0.76 ACLY (0.48) AKR1C3AKR1C2PTGS2CSF1RLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202724-B1 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER LAMBERT CO (US) 2003-10-01 EP disclosed
CN-1365277-A Methods of treating chronic pain using MEK inhibitors VARNER LAMBERT CO (US) 2002-08-21 CN disclosed
EP-1202724-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-05-08 EP disclosed
EP-1150950-A2 ANTHRANILIC ACID DERIVATIVES WARNER-LAMBERT COMPANY (US) 2001-11-07 EP disclosed
WO-2001005393-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO disclosed
WO-2000041505-A2 ANTHRANILIC ACID DERIVATIVES WARNER-LAMBERT COMPANY (US) 2000-07-20 WO disclosed