SCHEMBL13068915

SCHEMBL13068915

CCCc1cc(OC(F)(F)F)ccc1C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 3/20 0.44
▸ PTGS2 P35354 3/20 0.44
▸ MRGPRX4 Q96LA9 1/20 0.43
▸ HDAC3 O15379 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ CFTR P13569 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ PPARG P37231 1/20 0.40
▸ PPARD Q03181 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ GAA P10253 1/20 0.39

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
SCHEMBL31168086 0.84 MRGPRX4 (0.44) MRGPRX4CFTRPOLBABL1LMNA
SCHEMBL12818154 0.81 MRGPRX4 (0.46) MRGPRX4HDAC3HDAC1HDAC2CFTR
SCHEMBL3372772 0.78 TDP1 (0.58) MRGPRX4CFTRPOLBABL1EPHX2
SCHEMBL8612846 0.78 MRGPRX4 (0.38) PTGS1PTGS2MRGPRX4HDAC3HDAC1
SCHEMBL24436789 0.77 CA12 (0.64) MRGPRX4CFTRABL1LMNAEPHX2
SCHEMBL4039654 0.77 CA12 (0.59) LMNAALDH1A1KDM4EMAPTHPGD
SCHEMBL20644248 0.77 CFTR (0.46) MRGPRX4CFTRABL1EPHX2ALDH1A1
SCHEMBL31168096 0.77 ABL1 (0.47) MRGPRX4CFTRPOLBABL1PPARG
SCHEMBL10487773 0.76 FLT1 (0.57) POLBABL1LMNAALDH1A1KDM4E
SCHEMBL14547866 0.76 GAA (0.58) CFTRABL1PPARGPPARALMNA

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
EP-1937659-B1 CYCLIC N-[1,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS (FR) 2010-11-10 — — EP disclosed
WO-2007039173-A1 CYCLIC N-[1 ,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 — — WO disclosed
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