SCHEMBL7921074

SCHEMBL7921074

O=C(O)COc1ccc([S+]([O-])CCNS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.65
TBXAS1 P24557 1/20 0.65
SGMS1 Q86VZ5 7/20 0.50
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 3/20 0.49
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ADAMTS4 O75173 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP13 P45452 1/20 0.46
MMP14 P50281 1/20 0.46
ADAM17 P78536 1/20 0.46
ADAMTS5 Q9UNA0 1/20 0.46
IDO1 P14902 1/20 0.46

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
SCHEMBL7924008 0.87 SMN1; SMN2 (0.57) TBXA2RTBXAS1ALDH1A1CYP2C9CYP2C19
SCHEMBL7921055 0.80 TBXA2R (0.70) TBXA2RTBXAS1SGMS1TDP1ALDH1A1
Sulotroban SCHEMBL34187 0.79 TBXA2R (1.00) TBXA2RTBXAS1SGMS1TDP1ALDH1A1
SCHEMBL11358325 0.77 TBXA2R (0.85) TBXA2RTBXAS1SGMS1TDP1ALDH1A1
SCHEMBL11335798 0.76 TBXA2R (0.76) TBXA2RTBXAS1SGMS1ALDH1A1
SCHEMBL7921068 0.76 TBXA2R (0.67) TBXA2RTBXAS1SGMS1TDP1ALDH1A1
SCHEMBL7924088 0.73 TBXA2R (0.45) TBXA2RTBXAS1SGMS1ALDH1A1CYP2C9
SCHEMBL9512068 0.73 TBXA2R (0.63) TBXA2RTBXAS1TDP1ALDH1A1MEN1
SCHEMBL11339354 0.72 MEN1 (0.67) TBXA2RTBXAS1TDP1ALDH1A1HTT
SCHEMBL9778021 0.72 TBXA2R (0.62) TBXA2RTBXAS1TDP1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0811375-B1 GLUTAMIC ACID RECEPTOR AGONIST NIPPON SUISAN KAISHA LTD (JP) 2001-01-03 EP disclosed
EP-0811375-A1 GLUTAMIC ACID RECEPTOR AGONIST NIPPON SUISAN KAISHA, LTD. (JP) 1997-12-10 EP disclosed
EP-0469901-B1 Sulfonamide derivatives TAISHO PHARMACEUTICAL CO LTD (JP) 1994-10-19 EP disclosed
US-5189211-A Thromboxane A2 antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 1993-02-23 US disclosed
EP-0469901-A1 Sulfonamide derivatives TAISHO PHARMACEUTICAL CO. LTD (JP) 1992-02-05 EP disclosed