Sugi Predict

Sugi Predict / Compounds / SCHEMBL3148988

SCHEMBL3148988

SCHEMBL3148988

O=C(/C=C/c1ccn(S(=O)(=O)c2ccc(-c3ccc(OCCN4CCCC4)cc3)s2)c1)NOC1CCCCO1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.37
▸ HRH3 Q9Y5N1 6/20 0.36
▸ MMP13 P45452 6/20 0.35
▸ ENPP3 O14638 1/20 0.34
▸ MAOB P27338 2/20 0.34
▸ MMP1 P03956 2/20 0.34
▸ ESR1 P03372 2/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ KCNH2 Q12809 2/20 0.33
▸ STS P08842 1/20 0.33
▸ MMP9 P14780 1/20 0.33

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
SCHEMBL3148996 1.00 CHEK1 (0.37) CHEK1HRH3MMP13ENPP3MAOB
SCHEMBL3133216 0.96 CA12 (0.35) MMP13MMP1MMP9
SCHEMBL3133210 0.96 CA12 (0.35) MMP13MMP1MMP9
SCHEMBL3141791 0.95 MMP13 (0.35) CHEK1HRH3MMP13MMP1
SCHEMBL3141776 0.95 MMP13 (0.35) CHEK1HRH3MMP13MMP1
SCHEMBL3146137 0.93 BMPR1B (0.39) HRH3
SCHEMBL3146145 0.93 BMPR1B (0.39) HRH3
SCHEMBL3137313 0.86 HDAC3 (0.37) HRH3MAOBKCNH2
SCHEMBL3137324 0.86 HDAC3 (0.37) HRH3MAOBKCNH2
SCHEMBL3145661 0.86 HDAC1 (0.33) MMP9

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 CHEK1 837/4885HRH3 57/4885MMP13 3538/4885
US-20100074862-A1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC2 CHEK1 2039/4885HRH3 110/4885MMP13 4249/4885

“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.