SCHEMBL3141791

SCHEMBL3141791

CN1CCN(CCOc2ccc(-c3ccc(S(=O)(=O)n4ccc(C=CC(=O)NOC5CCCCO5)c4)s3)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 13/20 0.35
MMP1 P03956 3/20 0.34
PARP1 P09874 1/20 0.33
CHEK1 O14757 1/20 0.33
TGFBR1 P36897 1/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32

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
SCHEMBL3141776 1.00 MMP13 (0.35) MMP13MMP1PARP1CHEK1TGFBR1
SCHEMBL3148996 0.95 CHEK1 (0.37) MMP13MMP1CHEK1HRH3
SCHEMBL3148988 0.95 CHEK1 (0.37) MMP13MMP1CHEK1HRH3
SCHEMBL3133216 0.94 CA12 (0.35) MMP13MMP1PARP1TGFBR1
SCHEMBL3133210 0.94 CA12 (0.35) MMP13MMP1PARP1TGFBR1
SCHEMBL3146137 0.91 BMPR1B (0.39) TGFBR1HRH3
SCHEMBL3146145 0.91 BMPR1B (0.39) TGFBR1HRH3
SCHEMBL3140313 0.87 HDAC1 (0.37) PARP1TGFBR1PIK3CAMTORHRH3
SCHEMBL3140327 0.87 HDAC1 (0.37) PARP1TGFBR1PIK3CAMTORHRH3
SCHEMBL3136913 0.85 HDAC1 (0.41) MMP13MMP1PARP1HRH3

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-8815855-B2 N-sulphonylpyrroles and their use as histone deacetylase inhibitors 4SC AG (DE) 2014-08-26 US disclosed
US-20100074862-A1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS MAIER THOMAS 2010-03-25 US disclosed
US-7666868-B2 e.g. N-Hydroxy-3-{1-[4-(1-methyl-1H-indol-5-yl)-benzenesulfonyl]-1H-pyrrol-3-yl}-acrylamide; antiproliferative, anticarcinogenic, antiinflammatory, neuroleptic agent, autoimmune disorders 4SC AG (DE) 2010-02-23 US disclosed
EP-1861365-B1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2009-07-01 EP disclosed
US-20080176848-A1 e.g. N-Hydroxy-3-{1-[4-(1-methyl-1H-indol-5-yl)-benzenesulfonyl]-1H-pyrrol-3-yl}-acrylamide; antiproliferative, anticarcinogenic, antiinflammatory, neuroleptic agent, autoimmune disorders NYCOMED GMBH (DE) 2008-07-24 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-20080176848-A1 e.g. N-Hydroxy-3-{1-[4-(1-methyl-1H-indol-5-yl)-benzenesulfonyl]-1H-pyrrol-3-yl}-acrylamide; antiproliferative, anticarcinogenic, antiinflammatory, neuroleptic agent, autoimmune disorders HDAC1, H1-3, HDAC2 MMP13 3538/4885MMP1 1573/4885PARP1 273/4885
US-20100074862-A1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC2 MMP13 4249/4885MMP1 3102/4885PARP1 167/4885

“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.