SCHEMBL10194504

SCHEMBL10194504

CC(C)(C)OC(=O)N1CC[C@H](CNS(=O)(=O)c2ccc3ccccc3c2)[C@H](O)C1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.59
TGFBR1 P36897 15/20 0.54
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
BCHE P06276 2/20 0.47
MAOB P27338 1/20 0.47
F10 P00742 1/20 0.47

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
SCHEMBL10194489 0.86 ACACB (0.71) ACACBTGFBR1HDAC3HDAC4HDAC1
SCHEMBL13538761 0.85 ACACB (0.64) ACACBTGFBR1HDAC3HDAC4HDAC1
SCHEMBL13538768 0.82 LMNA (0.52) ACACBHDAC3HDAC4HDAC1HDAC7
SCHEMBL10194537 0.81 SFRP1 (0.53) ACACBTGFBR1
SCHEMBL10194498 0.80 ADAM17 (0.51) ACACBTGFBR1F10
SCHEMBL10194548 0.79 SFRP1 (0.56) ACACBTGFBR1
SCHEMBL6786293 0.76 ACACB (0.53) ACACBTGFBR1
SCHEMBL2333096 0.76 STS (0.45) ACACB
SCHEMBL10194497 0.76 ADAM17 (0.55) ACACBTGFBR1
SCHEMBL8580938 0.76 ACACB (0.48) ACACBTGFBR1BCHEF10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513237-B2 Sulfonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2013-08-20 US disclosed
US-20120178741-A1 Sulfonylamino-Derivatives As Novel Inhibitors Of Histone Deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2012-07-12 US disclosed
US-8163733-B2 Sulfonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-24 US disclosed
US-20100234353-A1 SULFONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2010-09-16 US disclosed
US-7767679-B2 Sulfonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-03 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-20100234353-A1 SULFONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC11 ACACB 1340/4885TGFBR1 1446/4885HDAC3 2/4885
US-20120178741-A1 Sulfonylamino-Derivatives As Novel Inhibitors Of Histone Deacetylase HDAC1, HDAC3, HDAC11 ACACB 1340/4885TGFBR1 1446/4885HDAC3 2/4885

“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.