SCHEMBL7921068

SCHEMBL7921068

O=C(O)COc1ccc(SCCNS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.67
TBXAS1 P24557 1/20 0.67
ALDH1A1 P00352 9/20 0.66
HSD17B10 Q99714 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
NFKB1 P19838 1/20 0.56
PMP22 Q01453 1/20 0.56
HIF1A Q16665 1/20 0.56
GAA P10253 1/20 0.55
NPC1 O15118 1/20 0.52
USP2 O75604 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
SGMS1 Q86VZ5 2/20 0.49
TSHR P16473 2/20 0.49
MEN1 O00255 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP2C19 P33261 1/20 0.47

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
SCHEMBL9362234 0.90 ALDH1A1 (0.69) TBXA2RTBXAS1ALDH1A1HSD17B10CYP2C9
SCHEMBL7919243 0.89 ALDH1A1 (0.59) TBXA2RTBXAS1ALDH1A1HSD17B10CYP2C9
SCHEMBL7919267 0.89 ALDH1A1 (0.65) TBXA2RTBXAS1ALDH1A1HSD17B10CYP2C9
SCHEMBL7920702 0.89 ALDH1A1 (0.62) TBXA2RTBXAS1ALDH1A1HSD17B10CYP2C9
SCHEMBL7918986 0.89 ALDH1A1 (0.62) TBXA2RTBXAS1ALDH1A1CYP2C9GAA
SCHEMBL7918922 0.89 ALDH1A1 (0.62) TBXA2RTBXAS1ALDH1A1HSD17B10CYP2C9
SCHEMBL7919317 0.89 TBXAS1 (0.54) TBXA2RTBXAS1ALDH1A1HSD17B10CYP2C9
SCHEMBL7924104 0.89 ALDH1A1 (0.58) TBXA2RTBXAS1ALDH1A1HSD17B10CYP2C9
SCHEMBL7918909 0.86 ALDH1A1 (0.56) TBXA2RTBXAS1ALDH1A1HSD17B10CYP2C9
SCHEMBL7924015 0.86 ALDH1A1 (0.68) TBXA2RTBXAS1ALDH1A1HSD17B10CYP2C9

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