SCHEMBL3216015

SCHEMBL3216015

O=S(=O)(c1cccc(Cl)c1)N1CCN(c2c(Cl)cncc2Cl)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
HSD11B1 P28845 1/20 0.55
GBA1 P04062 2/20 0.53
CHRM1 P11229 1/20 0.52
LMNA P02545 3/20 0.51
TSHR P16473 2/20 0.51
CHRM4 P08173 1/20 0.51
HTT P42858 3/20 0.50
PKM P14618 1/20 0.50
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
NAMPT P43490 1/20 0.47
PIK3CA P42336 1/20 0.47
MTOR P42345 1/20 0.47

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
SCHEMBL5325655 0.95 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AHSD11B1GBA1
SCHEMBL10726996 0.84 ALDH1A1 (0.86) ALDH1A1MEN1KMT2AHSD11B1GBA1
SCHEMBL5347306 0.83 LMNA (0.53) ALDH1A1MEN1KMT2AGBA1LMNA
SCHEMBL16707660 0.81 MEN1 (0.55) ALDH1A1MEN1KMT2AHSD11B1LMNA
SCHEMBL3223542 0.81 CYP3A4 (0.45) ALDH1A1MEN1KMT2ACHRM1CHRM4
SCHEMBL5455187 0.80 KDM4E (0.61) HSD11B1GBA1LMNAHTTPKM
SCHEMBL5349081 0.80 TSHR (0.55) ALDH1A1MEN1KMT2AGBA1LMNA
SCHEMBL5332752 0.80 TP53 (0.48) ALDH1A1GAAKDM4ENAMPT
SCHEMBL2960456 0.79 MEN1 (0.68) ALDH1A1MEN1KMT2AGBA1LMNA
SCHEMBL5323174 0.78 MCOLN3 (0.60) MEN1KMT2AHSD11B1LMNATSHR

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 5 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
EP-1981848-A2 11-BETA HSD1 INHIBITORS Wyeth (US) 2008-10-22 EP disclosed
US-20070219198-A1 11-Beta HSD 1 inhibitors WYETH (US) 2007-09-20 US disclosed
WO-2007092435-A2 11-BETA HSD1 INHIBITORS WYETH (US) 2007-08-16 WO 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 ALDH1A1 116/4885MEN1 1354/4885KMT2A 1609/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 ALDH1A1 123/4885MEN1 1687/4885KMT2A 1591/4885

“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.