SCHEMBL3133823

SCHEMBL3133823

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)C=Cc1ccn(S(=O)(=O)c2ccc(-c3ccc(CNS(C)(=O)=O)cc3)s2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 17/20 0.40
▸ HDAC3 O15379 7/20 0.40
▸ HDAC2 Q92769 4/20 0.40
▸ HDAC10 Q969S8 3/20 0.40
▸ HDAC11 Q96DB2 3/20 0.40
▸ HDAC9 Q9UKV0 3/20 0.40
▸ KDM1A O60341 1/20 0.40
▸ HDAC6 Q9UBN7 6/20 0.36
▸ HDAC8 Q9BY41 5/20 0.36
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ NR1H2 P55055 1/20 0.32
▸ HDAC4 P56524 2/20 0.32
▸ HDAC7 Q8WUI4 2/20 0.32
▸ HDAC5 Q9UQL6 2/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ ERBB2 P04626 1/20 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
SCHEMBL3146297 0.89 HDAC1 (0.49) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL3149800 0.88 HDAC1 (0.53) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL3257831 0.87 HDAC1 (0.54) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL3257838 0.87 HDAC1 (0.54) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL3146485 0.84 HDAC1 (0.55) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL297301 0.82 HDAC1 (0.42) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL3851989 0.81 HDAC1 (0.43) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL3145660 0.80 HDAC1 (0.43) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL3415600 0.80 HDAC1 (0.54) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL3145060 0.79 HDAC1 (0.53) HDAC1HDAC3HDAC2HDAC10HDAC11

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 HDAC1 1/4885HDAC3 11/4885HDAC2 3/4885
US-20100074862-A1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC2 HDAC1 1/4885HDAC3 2/4885HDAC2 3/4885

“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.

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