SCHEMBL3219331

SCHEMBL3219331

O=S(=O)(c1ccc2ccccc2c1)C1CCN(c2c(Cl)cncc2Cl)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCOLN3 Q8TDD5 3/20 0.44
LMNA P02545 3/20 0.44
CYP3A4 P08684 1/20 0.43
CTSS P25774 2/20 0.43
TSHR P16473 3/20 0.42
HSD11B1 P28845 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTR6 P50406 1/20 0.41
USP2 O75604 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PKM P14618 2/20 0.40
F10 P00742 2/20 0.39
ATM Q13315 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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 0.85 CYP3A4 (0.47) LMNACYP3A4CTSSTSHRMEN1
SCHEMBL3223542 0.83 CYP3A4 (0.45) CYP3A4CTSSSMN1; SMN2HTR6MEN1
SCHEMBL3214282 0.82 CYP3A4 (0.49) LMNACYP3A4CTSSMAPK1PKM
SCHEMBL3219342 0.80 CYP3A4 (0.42) LMNACYP3A4CTSSSMN1; SMN2MAPK1
SCHEMBL3221937 0.79 HSD11B1 (0.51) MCOLN3LMNACTSSTSHRHSD11B1
SCHEMBL3213074 0.79 CTSS (0.57) CYP3A4CTSS
SCHEMBL5323174 0.78 MCOLN3 (0.60) MCOLN3LMNATSHRHSD11B1SMN1; SMN2
SCHEMBL3210278 0.77 MAPT (0.47) LMNACYP3A4CTSSHSD11B1MEN1
SCHEMBL5275182 0.76 TSHR (0.59) MCOLN3LMNATSHRSMN1; SMN2PKM
SCHEMBL3219594 0.73 HRH4 (0.49) MCOLN3LMNATSHRHSD11B1HTR6

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 MCOLN3 4442/4885LMNA 3748/4885CYP3A4 102/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 MCOLN3 4525/4885LMNA 3681/4885CYP3A4 108/4885

“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.