SCHEMBL3214282

SCHEMBL3214282

O=S(=O)(c1ccc(Cl)cc1)C1CCN(c2c(Cl)cncc2Cl)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.49
HTR2A P28223 2/20 0.43
ADRB2 P07550 1/20 0.43
DRD2 P14416 1/20 0.43
HTR2C P28335 1/20 0.43
KCNH2 Q12809 1/20 0.43
CTSS P25774 3/20 0.42
TP53 P04637 1/20 0.42
GRM5 P41594 2/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CNR1 P21554 1/20 0.40
EPHX2 P34913 1/20 0.39
SPR P35270 1/20 0.39
PKM P14618 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 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
SCHEMBL3210443 0.86 CYP3A4 (0.47) CYP3A4ADRB2CTSSGRM5LMNA
SCHEMBL3210278 0.86 MAPT (0.47) CYP3A4HTR2AADRB2HTR2CCTSS
SCHEMBL3223542 0.84 CYP3A4 (0.45) CYP3A4HTR2AADRB2HTR2CCTSS
SCHEMBL3219331 0.82 MCOLN3 (0.44) CYP3A4CTSSLMNAPKMMEN1
SCHEMBL3213074 0.80 CTSS (0.57) CYP3A4HTR2AADRB2HTR2CCTSS
SCHEMBL3209933 0.75 HSD11B1 (0.54)
SCHEMBL3219342 0.74 CYP3A4 (0.42) CYP3A4ADRB2KCNH2CTSSLMNA
SCHEMBL217625 0.71 ALDH1A1 (0.48) CYP3A4HTR2ADRD2HTR2CKCNH2
SCHEMBL3207424 0.71 L3MBTL1 (0.63) CYP3A4LMNAL3MBTL1
SCHEMBL1761034 0.71 EPHX2 (0.50) HTR2ADRD2HTR2CKCNH2LMNA

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 CYP3A4 102/4885HTR2A 2280/4885ADRB2 1062/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 CYP3A4 108/4885HTR2A 1356/4885ADRB2 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.