SCHEMBL1618372

SCHEMBL1618372

O=S(=O)(c1ccc2ccccc2c1)N1C[C@H]2C[C@H]1CN2

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.61
LMNA P02545 3/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
PKM P14618 3/20 0.48
MCOLN3 Q8TDD5 3/20 0.47
TSHR P16473 1/20 0.47
AKR1C3 P42330 3/20 0.44
AKR1C1 Q04828 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL10231078 1.00 HSD11B1 (0.61) HSD11B1LMNAALDH1A1SMN1; SMN2PKM
SCHEMBL31471901 1.00 HSD11B1 (0.61) HSD11B1LMNAALDH1A1SMN1; SMN2PKM
SCHEMBL566287 0.85 HSD11B1 (0.54) HSD11B1
Hydrochloric Acid SCHEMBL567432 0.84 HSD11B1 (0.53) HSD11B1
SCHEMBL8692108 0.83 HSD11B1 (0.54) HSD11B1ALDH1A1MEN1KMT2A
SCHEMBL30121385 0.83 HSD11B1 (0.70) HSD11B1ALDH1A1TSHRKMT2A
SCHEMBL4413069 0.83 HSD11B1 (0.70) HSD11B1ALDH1A1TSHRKMT2A
SCHEMBL31471935 0.81 HSD11B1 (0.67) HSD11B1ALDH1A1
SCHEMBL4405981 0.79 HSD11B1 (0.69) HSD11B1PKMMCOLN3
SCHEMBL31471844 0.78 HSD11B1 (0.61) HSD11B1MCOLN3AKR1C3MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557825-B2 Sulfonyl-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2013-10-15 US disclosed
US-8557825-B2 Sulfonyl-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2013-10-15 US disclosed
US-20120088754-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE EMELEN KRISTOF VAN (BE) 2012-04-12 US disclosed
US-20120088754-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE EMELEN KRISTOF VAN (BE) 2012-04-12 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 (1 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-20120088754-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 HSD11B1 1430/4885LMNA 946/4885ALDH1A1 1215/4885

“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.