SCHEMBL3052736

SCHEMBL3052736

CN(C)c1ccc(S(=O)(=O)n2ccc(C=CC(=O)Nc3ccccc3NC(=O)O)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.56
HDAC2 Q92769 4/20 0.56
HDAC3 O15379 3/20 0.56
HDAC10 Q969S8 2/20 0.56
HDAC11 Q96DB2 2/20 0.56
HDAC9 Q9UKV0 2/20 0.56
KDM1A O60341 1/20 0.56
HDAC6 Q9UBN7 5/20 0.54
HDAC8 Q9BY41 3/20 0.53
MMP1 P03956 3/20 0.43
MMP2 P08253 3/20 0.43
MMP9 P14780 3/20 0.43
EGFR P00533 2/20 0.43
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
ABL1 P00519 1/20 0.42
ERBB2 P04626 1/20 0.42

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
SCHEMBL296155 0.89 HDAC1 (0.70) HDAC1HDAC2HDAC3HDAC10HDAC11
SCHEMBL296156 0.89 HDAC1 (0.70) HDAC1HDAC2HDAC3HDAC10HDAC11
SCHEMBL296283 0.87 HDAC1 (0.51) HDAC1HDAC2HDAC3HDAC10HDAC11
SCHEMBL27725178 0.87 HDAC1 (0.56) HDAC1HDAC2HDAC3HDAC10HDAC11
SCHEMBL296996 0.84 HDAC1 (0.73) HDAC1HDAC2HDAC3HDAC10HDAC11
SCHEMBL296995 0.84 HDAC1 (0.73) HDAC1HDAC2HDAC3HDAC10HDAC11
SCHEMBL297011 0.81 HDAC1 (0.57) HDAC1HDAC2HDAC3HDAC10HDAC11
SCHEMBL297010 0.81 HDAC1 (0.57) HDAC1HDAC2HDAC3HDAC10HDAC11
SCHEMBL3844993 0.81 HDAC1 (0.62) HDAC1HDAC2HDAC3HDAC10HDAC11
SCHEMBL3844994 0.81 HDAC1 (0.64) HDAC1HDAC2HDAC3HDAC10HDAC11

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-8969401-B2 Sulfonylpyrroles 4SC AG (DE) 2015-03-03 US disclosed
US-20130079347-A1 NOVEL SULFONYLPYRROLES ALTANA PHARMA AG (DE) 2013-03-28 US disclosed
US-8399505-B2 Sulfonylpyrroles 4SC AG (DE) 2013-03-19 US disclosed
US-20100261761-A1 Novel Sulfonylpyrroles MAIER THOMAS 2010-10-14 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-20100261761-A1 Novel Sulfonylpyrroles HDAC3, HDAC1, HDAC2 HDAC1 2/4885HDAC2 3/4885HDAC3 1/4885
US-20130079347-A1 NOVEL SULFONYLPYRROLES HDAC3, HDAC1, HDAC2 HDAC1 2/4885HDAC2 3/4885HDAC3 1/4885

“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.