SCHEMBL3222003

SCHEMBL3222003

Cc1ccc(S(=O)(=O)N2CCC(Oc3ccccc3Cl)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.62
KCNH2 Q12809 4/20 0.62
HTR2A P28223 1/20 0.62
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 2/20 0.53
PKM P14618 2/20 0.53
PLA2G1B P04054 1/20 0.53
ATG4B Q9Y4P1 1/20 0.53
ALDH1A1 P00352 6/20 0.52
TP53 P04637 1/20 0.52
LMNA P02545 3/20 0.52
USP2 O75604 1/20 0.52
GAA P10253 1/20 0.52
HTT P42858 1/20 0.52
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
TSHR P16473 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
SCHEMBL3210439 0.88 MEN1 (0.57) HTR2CKCNH2HTR2AMEN1KMT2A
SCHEMBL3213292 0.87 MAPT (0.60) MEN1KMT2ASMN1; SMN2MAPTPKM
SCHEMBL3201810 0.86 HTR2C (0.63) HTR2CKCNH2HTR2AMEN1KMT2A
SCHEMBL3223665 0.86 MEN1 (0.55) HTR2CKCNH2HTR2AMEN1KMT2A
SCHEMBL3221859 0.86 MEN1 (0.60) HTR2CKCNH2HTR2AMEN1KMT2A
SCHEMBL3212962 0.85 PTGDR (0.57) MEN1KMT2ASMN1; SMN2MAPTPKM
SCHEMBL3212915 0.85 FPR2 (0.64) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL3223466 0.84 HSD11B1 (0.55) HTR2CKCNH2HTR2AMEN1KMT2A
SCHEMBL24590696 0.84 PTGDR (0.56) HTR2CKCNH2HTR2AMEN1KMT2A
SCHEMBL3210436 0.84 MEN1 (0.53) HTR2CKCNH2HTR2AMEN1KMT2A

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 HTR2C 1366/4885KCNH2 4537/4885HTR2A 2280/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 HTR2C 806/4885KCNH2 4375/4885HTR2A 1356/4885

“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.