SCHEMBL6508320

SCHEMBL6508320

Cc1cc(C)cc(-c2nc(-c3ccc([S+](C)[O-])cc3)sc2-c2ccncc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.55
PTGS2 P35354 1/20 0.47
ADORA3 P0DMS8 6/20 0.43
ADORA1 P30542 4/20 0.42
ADORA2A P29274 2/20 0.42
CHRM5 P08912 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
ADORA2B P29275 1/20 0.42
CDC7 O00311 2/20 0.39
DBF4 Q9UBU7 2/20 0.39
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
DRD4 P21917 1/20 0.37
TSPO P30536 1/20 0.37
DRD3 P35462 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
ALOX5 P09917 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL6284207 0.90 MAPK14 (0.69) MAPK14PTGS2CDC7DBF4
SCHEMBL3888517 0.87 MAPK14 (0.57) MAPK14PTGS2ADORA3ADORA1ADORA2A
SCHEMBL6505328 0.87 MAPK14 (0.51) MAPK14PTGS2CDC7DBF4IDO1
SCHEMBL3896116 0.86 MAPK14 (0.43) MAPK14PTGS2ADORA3ALOX5KDM4E
SCHEMBL6285570 0.84 MAPK14 (0.54) MAPK14PTGS2ADORA3ADORA1ADORA2A
SCHEMBL6502554 0.84 PTGS2 (0.51) MAPK14PTGS2CDC7DBF4IDO1
SCHEMBL6501123 0.84 PTGS2 (0.67) MAPK14PTGS2CDC7DBF4ALOX5
SCHEMBL6498802 0.83 PTGS2 (0.52) MAPK14PTGS2CDC7DBF4ALOX5
SCHEMBL6504016 0.81 MAPK14 (0.81) MAPK14PTGS2ADORA3
SCHEMBL6504993 0.80 MAPK14 (0.54) MAPK14PTGS2ADORA3ADORA1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 US disclosed
US-20040097555-A1 Concomitant drugs TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-20 US disclosed
EP-1402900-A1 MEDICINAL COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2004-03-31 EP disclosed
EP-1354603-A1 CONCOMITANT DRUGS Takeda Chemical Industries, Ltd. (JP) 2003-10-22 EP 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 (2 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-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 MAPK14 50/4885PTGS2 57/4885ADORA3 1613/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 MAPK14 29/4885PTGS2 109/4885ADORA3 2584/4885

“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.