SCHEMBL13489653

SCHEMBL13489653

O=S(=O)(c1ccccc1)N1CCC(Oc2ccccc2)CC1

nearest known ligand 0.81

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.68
MAPT P10636 2/20 0.68
USP5 P45974 1/20 0.64
HTR2C P28335 1/20 0.63
ACLY P53396 1/20 0.59
FPR2 P25090 1/20 0.59
PROKR1 Q8TCW9 1/20 0.59
TP53 P04637 1/20 0.56
ALDH1A1 P00352 3/20 0.56
LMNA P02545 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
GAA P10253 2/20 0.55
KDM4E B2RXH2 1/20 0.55
NAMPT P43490 1/20 0.53
PKM P14618 1/20 0.52
POLB P06746 1/20 0.51

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
SCHEMBL3222471 0.90 MEN1 (0.69) SMN1; SMN2MAPTUSP5HTR2CFPR2
SCHEMBL12660313 0.86 MEN1 (0.65) SMN1; SMN2MAPTUSP5HTR2CACLY
SCHEMBL15549452 0.83 HTR2C (0.57) SMN1; SMN2MAPTUSP5HTR2CACLY
SCHEMBL3219839 0.82 MAPT (0.66) SMN1; SMN2MAPTUSP5HTR2CFPR2
SCHEMBL9818371 0.79 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL3202101 0.79 SMN1; SMN2 (0.64) SMN1; SMN2MAPTUSP5HTR2CACLY
SCHEMBL6886973 0.78 GAA (0.52) SMN1; SMN2MAPTTP53ALDH1A1LMNA
SCHEMBL14095894 0.77 MAPT (0.63) SMN1; SMN2MAPTUSP5HTR2CTP53
SCHEMBL3219665 0.77 MAPT (0.89) SMN1; SMN2MAPTFPR2PROKR1ALDH1A1
SCHEMBL3830424 0.76 POLB (0.80) SMN1; SMN2ALDH1A1LMNAGAAPKM

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 SMN1; SMN2 3575/4885MAPT 3352/4885USP5 495/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 SMN1; SMN2 3686/4885MAPT 3097/4885USP5 505/4885

“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.