SCHEMBL7924070

SCHEMBL7924070

O=C(O)COc1ccc(SCCNS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
TBXA2R P21731 1/20 0.46
TBXAS1 P24557 1/20 0.46
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
NFKB1 P19838 1/20 0.44
PMP22 Q01453 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.44
NPC1 O15118 1/20 0.44
USP2 O75604 1/20 0.44
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 1/20 0.43
PTPN7 P35236 1/20 0.38
PTPN12 Q05209 1/20 0.38
IDO1 P14902 1/20 0.38

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
SCHEMBL7920576 0.88 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP3A4CYP2C9NFKB1
SCHEMBL7919267 0.85 ALDH1A1 (0.65) ALDH1A1TBXA2RTBXAS1CYP1A2CYP3A4
SCHEMBL7921068 0.83 TBXA2R (0.67) ALDH1A1TBXA2RTBXAS1CYP1A2CYP3A4
SCHEMBL7920711 0.83 FABP4 (0.50) ALDH1A1TBXA2RTBXAS1GAANPC1
SCHEMBL7918986 0.80 ALDH1A1 (0.62) ALDH1A1TBXA2RTBXAS1CYP2C9GAA
SCHEMBL7919243 0.80 ALDH1A1 (0.59) ALDH1A1TBXA2RTBXAS1CYP1A2CYP3A4
SCHEMBL7920702 0.80 ALDH1A1 (0.62) ALDH1A1TBXA2RTBXAS1CYP1A2CYP3A4
SCHEMBL7918922 0.80 ALDH1A1 (0.62) ALDH1A1TBXA2RTBXAS1CYP2C9HSD17B10
SCHEMBL8441006 0.80 ALDH1A1 (0.43) ALDH1A1TBXA2RTBXAS1CYP1A2CYP3A4
SCHEMBL7921083 0.80 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP3A4CYP2C9NFKB1

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