SCHEMBL3213074

SCHEMBL3213074

O=S(=O)(c1ccccc1Cl)C1CCN(c2c(Cl)cncc2Cl)CC1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.57
CYP3A4 P08684 1/20 0.51
ADRB2 P07550 1/20 0.42
HCAR2 Q8TDS4 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
CHRM4 P08173 2/20 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
SCHEMBL3214282 0.80 CYP3A4 (0.49) CTSSCYP3A4ADRB2HTR2AHTR2C
SCHEMBL3210281 0.79 CHRM4 (0.59) CYP3A4ADRB2CHRM4
SCHEMBL3219331 0.79 MCOLN3 (0.44) CTSSCYP3A4
SCHEMBL3223542 0.78 CYP3A4 (0.45) CTSSCYP3A4ADRB2HTR2AHTR2C
SCHEMBL3219342 0.78 CYP3A4 (0.42) CTSSCYP3A4ADRB2HCAR2
SCHEMBL3210443 0.77 CYP3A4 (0.47) CTSSCYP3A4ADRB2
SCHEMBL3221162 0.77 CTSS (0.54) CTSS
SCHEMBL28039072 0.77 ALDH1A1 (0.51) CTSSHTR2AHTR2C
SCHEMBL3210278 0.77 MAPT (0.47) CTSSCYP3A4ADRB2HTR2AHTR2C
SCHEMBL5347507 0.75 CHRM4 (0.61) CYP3A4CHRM4

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 CTSS 1997/4885CYP3A4 102/4885ADRB2 1062/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 CTSS 1885/4885CYP3A4 108/4885ADRB2 708/4885

“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.