SCHEMBL1267241

SCHEMBL1267241

CCCOc1ccc2c(c1)CN(S(C)(=O)=O)CC2

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 10/20 0.70
▸ ESR1 P03372 1/20 0.51
▸ ESR2 Q92731 1/20 0.51
▸ LMNA P02545 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ MAPT P10636 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.43
▸ RYR2 Q92736 1/20 0.43
▸ ACACB O00763 1/20 0.43

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
SCHEMBL26029578 0.83 HRH3 (0.58) HRH3ESR1ESR2CA1CA2
SCHEMBL14287574 0.83 HRH3 (1.00) HRH3
SCHEMBL25318532 0.83 HRH3 (0.62) HRH3ESR1ESR2LMNAPKM
Hydrochloric Acid SCHEMBL5100229 0.82 HRH3 (0.98) HRH3
SCHEMBL3186663 0.82 HRH3 (0.64) HRH3ESR1ESR2LMNAPKM
SCHEMBL1265672 0.81 RYR2 (0.62) HRH3ESR1ESR2LMNAPKM
SCHEMBL25903917 0.81 HRH3 (0.60) HRH3ESR1ESR2LMNAPKM
SCHEMBL5100248 0.80 HRH3 (0.61) HRH3ESR1ESR2
SCHEMBL3181201 0.79 HRH3 (0.55) HRH3ESR1ESR2ACACB
SCHEMBL3184675 0.78 HRH3 (0.72) HRH3ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951674-B1 SULFONAMIDE DERIVATIVES AND USE THEREOF FOR THE MODULATION OF METALLOPROTEINASES MERCK SERONO SA (CH) 2011-11-23 — — EP disclosed
EP-1951674-B1 SULFONAMIDE DERIVATIVES AND USE THEREOF FOR THE MODULATION OF METALLOPROTEINASES MERCK SERONO SA (CH) 2011-11-23 — — EP disclosed
US-7879876-B2 matrix metalloproteinase inhibitors such as N-{1-[(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)methyl]-3-phenylpropyl}-N-hydroxy formamide; prophylaxis of autoimmune disorders, inflammatory diseases, cardiovascular disorders, neurodegenerative diseases, cancer, respiratory system disorders and fibrosis MERCK SERONO SA (CH) 2011-02-01 — — US disclosed
US-7879876-B2 matrix metalloproteinase inhibitors such as N-{1-[(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)methyl]-3-phenylpropyl}-N-hydroxy formamide; prophylaxis of autoimmune disorders, inflammatory diseases, cardiovascular disorders, neurodegenerative diseases, cancer, respiratory system disorders and fibrosis MERCK SERONO SA (CH) 2011-02-01 — — US disclosed
US-7879876-B2 matrix metalloproteinase inhibitors such as N-{1-[(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)methyl]-3-phenylpropyl}-N-hydroxy formamide; prophylaxis of autoimmune disorders, inflammatory diseases, cardiovascular disorders, neurodegenerative diseases, cancer, respiratory system disorders and fibrosis MERCK SERONO SA (CH) 2011-02-01 — — US disclosed
US-20090221575-A1 Sulfonamide derivatives and use thereof for the modulation of metalloproteinases LABORATOIRES SERONO SA (CH) 2009-09-03 — — US disclosed
US-20090221575-A1 Sulfonamide derivatives and use thereof for the modulation of metalloproteinases LABORATOIRES SERONO SA (CH) 2009-09-03 — — US disclosed
US-20090221575-A1 Sulfonamide derivatives and use thereof for the modulation of metalloproteinases LABORATOIRES SERONO SA (CH) 2009-09-03 — — US disclosed
EP-1951674-A1 SULFONAMIDE DERIVATIVES AND USE THEREOF FOR THE MODULATION OF METALLOPROTEINASES LABORATOIRES SERONO S.A. (CH) 2008-08-06 — — EP disclosed
WO-2007048788-A1 SULFONAMIDE DERIVATIVES AND USE THEREOF FOR THE MODULATION OF METALLOPROTEINASES LABORATOIRES SERONO S.A. (CH) 2007-05-03 — — WO disclosed
WO-2007048788-A1 SULFONAMIDE DERIVATIVES AND USE THEREOF FOR THE MODULATION OF METALLOPROTEINASES LABORATOIRES SERONO S.A. (CH) 2007-05-03 — — 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 (1 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-20090221575-A1 Sulfonamide derivatives and use thereof for the modulation of metalloproteinases MMP12, STS, MMP14 HRH3 3052/4885ESR1 2869/4885ESR2 1013/4885

“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.

Send feedback