SCHEMBL3201889

SCHEMBL3201889

Cc1c(S(=O)(=O)N2CCC(Oc3c(Cl)cccc3Cl)CC2)sc2ccc(Cl)cc12

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.55
FPR2 P25090 5/20 0.45
PROKR1 Q8TCW9 5/20 0.45
PFKFB3 Q16875 4/20 0.43
PFKFB4 Q16877 4/20 0.43
KEAP1 Q14145 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL13598936 0.81 HTR6 (0.58) HTR6PFKFB3PFKFB4KEAP1NPSR1
SCHEMBL13598987 0.77 HTR6 (0.54) HTR6PFKFB3PFKFB4KEAP1NPSR1
SCHEMBL3201870 0.75 HTR2C (0.49)
SCHEMBL3147230 0.74 HTR6 (0.80) HTR6KEAP1
SCHEMBL27750084 0.74 HTR6 (0.58) HTR6PFKFB3PFKFB4KEAP1NPSR1
SCHEMBL3219783 0.74 HTR6 (0.54) HTR6PFKFB3PFKFB4NPSR1L3MBTL1
SCHEMBL3209965 0.74 LMNA (0.58)
SCHEMBL3222016 0.73 HTR2C (0.49)
SCHEMBL12577072 0.73 HTR6 (0.56) HTR6PFKFB3PFKFB4KEAP1NPSR1
SCHEMBL3205229 0.73 HTR6 (0.50) HTR6KEAP1NPSR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029648-A1 11-Beta HSD1 Inhibitors XIANG JASON SHAOYUN 2010-02-04 US disclosed
US-7632838-B2 11-beta HSD1 inhibitors WYETH (US) 2009-12-15 US disclosed
US-20070219198-A1 11-Beta HSD 1 inhibitors WYETH (US) 2007-09-20 US 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-20100029648-A1 11-Beta HSD1 Inhibitors HSD11B1, HSD3B1, HSD11B2 HTR6 2021/4885FPR2 3918/4885PROKR1 1585/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 HTR6 1213/4885FPR2 3342/4885PROKR1 1345/4885

“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.