SCHEMBL3135830

SCHEMBL3135830

O=C(C=Cc1ccn(S(=O)(=O)c2cccc(-c3ccc(OCCCN4CCOCC4)cc3)c2)c1)NOC1CCCCO1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 1/20 0.42
BMPR1A P36894 1/20 0.42
TGFBR1 P36897 1/20 0.42
ACVRL1 P37023 1/20 0.42
ACVR1 Q04771 1/20 0.42
KEAP1 Q14145 4/20 0.40
NFE2L2 Q16236 4/20 0.40
EPHX2 P34913 4/20 0.40
HRH3 Q9Y5N1 8/20 0.39
KDR P35968 1/20 0.39
APP P05067 1/20 0.37

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
SCHEMBL3135813 1.00 BMPR1B (0.42) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL3141703 0.97 BMPR1B (0.38) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL3141710 0.97 BMPR1B (0.38) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL3137324 0.93 HDAC3 (0.37) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL3137313 0.93 HDAC3 (0.37) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL3149884 0.92 HDAC1 (0.36)
SCHEMBL3149875 0.92 HDAC1 (0.36)
SCHEMBL3140313 0.91 HDAC1 (0.37) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL3140327 0.91 HDAC1 (0.37) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL3145199 0.90 HDAC1 (0.37)

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 7 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
EP-1861365-A1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS Nycomed GmbH (DE) 2007-12-05 EP disclosed
WO-2006097474-A1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS NYCOMED GMBH (DE) 2006-09-21 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 (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 BMPR1B 4765/4885BMPR1A 4646/4885TGFBR1 3266/4885
US-20100074862-A1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC2 BMPR1B 4195/4885BMPR1A 3934/4885TGFBR1 1794/4885

“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.