SCHEMBL7921055

SCHEMBL7921055

O=C(O)COc1ccc(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.70
TBXAS1 P24557 1/20 0.70
ALDH1A1 P00352 4/20 0.54
SGMS1 Q86VZ5 5/20 0.54
HTT P42858 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
ADAMTS4 O75173 1/20 0.49
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP13 P45452 1/20 0.49
MMP14 P50281 1/20 0.49
ADAM17 P78536 1/20 0.49
ADAMTS5 Q9UNA0 1/20 0.49
IDO1 P14902 1/20 0.49
ALOX15 P16050 1/20 0.49

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
SCHEMBL7924006 0.86 SMN1; SMN2 (0.61) TBXA2RTBXAS1ALDH1A1HTTMEN1
SCHEMBL11358325 0.83 TBXA2R (0.85) TBXA2RTBXAS1ALDH1A1SGMS1HTT
Sulotroban SCHEMBL34187 0.83 TBXA2R (1.00) TBXA2RTBXAS1ALDH1A1SGMS1HTT
SCHEMBL7921074 0.80 TBXA2R (0.65) TBXA2RTBXAS1ALDH1A1SGMS1HTT
SCHEMBL11335798 0.80 TBXA2R (0.76) TBXA2RTBXAS1ALDH1A1SGMS1
SCHEMBL7921068 0.80 TBXA2R (0.67) TBXA2RTBXAS1ALDH1A1SGMS1HTT
SCHEMBL9813773 0.78 TBXA2R (0.65) TBXA2RTBXAS1ALDH1A1MEN1KMT2A
SCHEMBL9813734 0.77 TBXA2R (0.64) TBXA2RTBXAS1ALDH1A1MEN1KMT2A
SCHEMBL9512068 0.76 TBXA2R (0.63) TBXA2RTBXAS1ALDH1A1MEN1KMT2A
SCHEMBL8438814 0.76 TBXA2R (0.56) TBXA2RTBXAS1ALDH1A1SGMS1HTT

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
US-5189211-A Thromboxane A2 antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 1993-02-23 US claimed
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