SCHEMBL3372772

SCHEMBL3372772

CCOc1cc(OC(F)(F)F)ccc1C(=O)OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.58
KDM4E B2RXH2 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 1/20 0.45
GRM7 Q14831 1/20 0.44
KCNB1 Q14721 1/20 0.43
KMT2A Q03164 2/20 0.43
CFTR P13569 1/20 0.42
FFAR4 Q5NUL3 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
ABL1 P00519 1/20 0.41
MEN1 O00255 1/20 0.41
MCHR1 Q99705 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL3372019 0.87 KDM4E (0.51) TDP1KDM4EMRGPRX4ALDH1A1L3MBTL1
SCHEMBL1968929 0.86 KMT2A (0.49) KDM4EMRGPRX4ALDH1A1SMN1; SMN2KMT2A
SCHEMBL27009292 0.84 TDP1 (0.64) TDP1KDM4EALDH1A1KMT2ATSHR
SCHEMBL9203097 0.83 KDM4E (0.51) TDP1KDM4EMRGPRX4ALDH1A1L3MBTL1
SCHEMBL6909317 0.81 TDP1 (0.63) TDP1KDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL25794823 0.80 TDP1 (0.62) TDP1KDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL7797959 0.80 TDP1 (0.58) TDP1KDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL27051378 0.79 TSHR (0.49) KDM4EMRGPRX4ALDH1A1KCNB1KMT2A
SCHEMBL12818154 0.79 MRGPRX4 (0.46) TDP1KDM4EMRGPRX4L3MBTL1POLB
SCHEMBL24436789 0.78 CA12 (0.64) MRGPRX4ALDH1A1SMN1; SMN2CFTRCYP3A4

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 10 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
US-7683181-B2 Cyclic N-[1,3,4]-thiadiazol-2-yl-benzene sulfonamides, pharmaceutical compositions and methods for the therapeutic use thereof SANOFI-AVENTIS (FR) 2010-03-23 US disclosed
US-7683181-B2 Cyclic N-[1,3,4]-thiadiazol-2-yl-benzene sulfonamides, pharmaceutical compositions and methods for the therapeutic use thereof SANOFI-AVENTIS (FR) 2010-03-23 US disclosed
US-7683181-B2 Cyclic N-[1,3,4]-thiadiazol-2-yl-benzene sulfonamides, pharmaceutical compositions and methods for the therapeutic use thereof SANOFI-AVENTIS (FR) 2010-03-23 US disclosed
US-20080280959-A1 CYCLIC N-[1,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-11-13 US disclosed
US-20080280959-A1 CYCLIC N-[1,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-11-13 US disclosed
US-20080280959-A1 CYCLIC N-[1,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-11-13 US disclosed
EP-1937659-A1 CYCLIC N-[1 ,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2008-07-02 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
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

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-20080280959-A1 CYCLIC N-[1,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THE THERAPEUTIC USE THEREOF PPARD, GPR119, PPARG TDP1 1873/4885KDM4E 3490/4885MRGPRX4 3016/4885

“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.