SCHEMBL3219644

SCHEMBL3219644

O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(c2c(Cl)cccc2Cl)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.60
HSD11B1 P28845 3/20 0.59
RAB9A P51151 1/20 0.56
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 4/20 0.52
TSHR P16473 3/20 0.52
HTT P42858 3/20 0.52
POLB P06746 3/20 0.52
LMNA P02545 2/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
THRB P10828 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
KDM4E B2RXH2 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
SCHEMBL3217987 0.84 ATM (0.61) MAPK1HSD11B1KMT2AMEN1SMN1; SMN2
SCHEMBL494192 0.79 KDM4E (0.74) MAPK1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL8049609 0.78 RAB9A (0.85) MAPK1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL3207442 0.77 LMNA (0.74) MAPK1HSD11B1KMT2AMEN1SMN1; SMN2
SCHEMBL493045 0.77 POLB (0.72) MAPK1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL3223553 0.76 CHRM4 (0.61) MAPK1ALDH1A1TSHRMAPTCYP1A2
SCHEMBL13489664 0.76 MEN1 (0.74) HSD11B1KMT2AMEN1ALDH1A1TSHR
SCHEMBL3216015 0.74 ALDH1A1 (0.62) HSD11B1KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL13489662 0.74 MAPT (0.70) MAPK1HSD11B1RAB9AALDH1A1POLB
SCHEMBL3201922 0.74 HSD11B1 (0.69) MAPK1HSD11B1KMT2AMEN1SMN1; SMN2

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 MAPK1 837/4885HSD11B1 1/4885RAB9A 3470/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 MAPK1 651/4885HSD11B1 1/4885RAB9A 3846/4885

“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.