SCHEMBL4872425

SCHEMBL4872425

O=C(CBr)c1ccc(S(=O)(=O)NCc2cccc3ccccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.53
PTPN1 P18031 3/20 0.44
CYP19A1 P11511 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MMP3 P08254 1/20 0.42
KAT6A Q92794 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA4 P22748 1/20 0.42
CA9 Q16790 1/20 0.42
MAPT P10636 1/20 0.41
GHSR Q92847 1/20 0.41
GSK3B P49841 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL4874695 0.85 CYP19A1 (0.61) CA2CYP19A1MEN1KMT2ACA12
SCHEMBL4871227 0.82 HDAC3 (0.56) CA2
SCHEMBL4770153 0.81 CA2 (0.66) CA2MEN1KMT2ACA12CA1
SCHEMBL19636715 0.79 MEN1 (0.68) CA2CYP19A1MEN1KMT2ACA12
SCHEMBL28113723 0.79 CA2 (0.63) CA2MEN1KMT2ACA12CA1
SCHEMBL4478162 0.73 CA2 (0.56) CA2CYP19A1MEN1KMT2ACA12
SCHEMBL13987918 0.71 HDAC3 (0.54)
SCHEMBL7396831 0.71 LMNA (0.63) MEN1KMT2ACA12CA9MAPT
SCHEMBL4479458 0.70 CA2 (0.45) CA2CYP19A1MEN1KMT2AMAPT
SCHEMBL27214027 0.70 CA12 (0.65) CA2PTPN1MEN1KMT2ACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470722-B2 Multicyclic sulfonamide compounds as inhibitors of histone deacetylase for the treatment of disease KALYPSYS, INC. (US) 2008-12-30 US disclosed
US-7470722-B2 Multicyclic sulfonamide compounds as inhibitors of histone deacetylase for the treatment of disease KALYPSYS, INC. (US) 2008-12-30 US disclosed
US-7470722-B2 Multicyclic sulfonamide compounds as inhibitors of histone deacetylase for the treatment of disease KALYPSYS, INC. (US) 2008-12-30 US disclosed
US-20060030543-A1 Multicyclic sulfonamide compounds as inhibitors of histone deacetylase for the treatment of disease KALYPSYS, INC. 2006-02-09 US disclosed
WO-2005123089-A2 MULTICYCLIC SULFONAMIDE COMPOUNDS AS INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2005-12-29 WO disclosed
WO-2005123089-A2 MULTICYCLIC SULFONAMIDE COMPOUNDS AS INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2005-12-29 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 (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-20060030543-A1 Multicyclic sulfonamide compounds as inhibitors of histone deacetylase for the treatment of disease HDAC6, HDAC3, HDAC5 CA2 3081/4885PTPN1 2749/4885CYP19A1 2525/4885

“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.