SCHEMBL1265874

SCHEMBL1265874

CS(=O)(=O)N1CCc2ccc(Br)cc2C1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.59
ESR2 Q92731 1/20 0.59
AKR1C3 P42330 3/20 0.54
HRH3 Q9Y5N1 3/20 0.51
HSD17B3 P37058 1/20 0.43
CARM1 Q86X55 1/20 0.43
ABHD6 Q9BV23 1/20 0.42
CA7 P43166 1/20 0.42
KDM2B Q8NHM5 1/20 0.42
HDAC1 Q13547 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
RYR2 Q92736 1/20 0.40

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
SCHEMBL3175986 0.94 ESR2 (0.68) ESR1ESR2AKR1C3HRH3HSD17B3
SCHEMBL23589286 0.86 HDAC1 (0.51) ESR1ESR2AKR1C3HRH3HSD17B3
SCHEMBL22543772 0.82 ESR1 (0.60) ESR1ESR2AKR1C3HRH3CA7
SCHEMBL31287276 0.82 ESR1 (0.54) ESR1ESR2AKR1C3HRH3KDM2B
SCHEMBL22469099 0.82 ESR1 (0.54) ESR1ESR2AKR1C3HRH3KDM2B
SCHEMBL4137572 0.81 ESR1 (0.59) ESR1ESR2AKR1C3HRH3CA7
SCHEMBL3181883 0.81 ESR2 (0.88) ESR1ESR2AKR1C3HRH3KDM2B
SCHEMBL1265840 0.81 ESR1 (0.59) ESR1ESR2AKR1C3HRH3CA7
SCHEMBL1265548 0.81 ESR1 (0.63) ESR1ESR2AKR1C3HRH3CA7
SCHEMBL30534601 0.81 ESR1 (0.59) ESR1ESR2AKR1C3HRH3CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101346353-B Sulfonamide derivatives and their use in modulating metalloproteases SERONO LAB 2012-01-11 CN disclosed
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
CN-101346353-A Sulfonamide derivatives and their use in modulating metalloproteases SERONO LAB (CH) 2009-01-14 CN 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 ESR1 2869/4885ESR2 1013/4885AKR1C3 730/4885

“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.