SCHEMBL2196807

SCHEMBL2196807

O=S(=O)(N[C@H]1CC[C@H](O)CC1)c1ccc(Br)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.71
HTT P42858 1/20 0.71
SMN1; SMN2 Q16637 2/20 0.58
KDM4E B2RXH2 1/20 0.58
RECQL P46063 1/20 0.58
ALDH1A1 P00352 4/20 0.50
HSP90AA1 P07900 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
LMNA P02545 2/20 0.49
KMT2A Q03164 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
HTR1A P08908 1/20 0.48

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
SCHEMBL2196811 1.00 MAPK1 (0.71) MAPK1HTTSMN1; SMN2KDM4ERECQL
SCHEMBL2197985 1.00 MAPK1 (0.71) MAPK1HTTSMN1; SMN2KDM4ERECQL
SCHEMBL1659340 0.91 MAPK1 (0.83) MAPK1HTTSMN1; SMN2KDM4ERECQL
SCHEMBL16013846 0.85 MAPK1 (0.63) MAPK1HTTSMN1; SMN2KDM4ERECQL
SCHEMBL3013547 0.84 MAPK1 (0.90) MAPK1HTTSMN1; SMN2KDM4ERECQL
SCHEMBL9015423 0.83 KDM4E (0.58) MAPK1HTTSMN1; SMN2KDM4ERECQL
SCHEMBL17205724 0.83 ALDH1A1 (0.71) HTTSMN1; SMN2KDM4ERECQLALDH1A1
SCHEMBL13812157 0.83 ALDH1A1 (0.71) HTTSMN1; SMN2KDM4ERECQLALDH1A1
SCHEMBL27248964 0.83 KDM4E (0.58) MAPK1HTTSMN1; SMN2KDM4ERECQL
SCHEMBL27248963 0.83 KDM4E (0.58) MAPK1HTTSMN1; SMN2KDM4ERECQL

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2964635-B1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2018-05-02 EP disclosed
US-9693997-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2017-07-04 US disclosed
US-9693997-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2017-07-04 US disclosed
US-9693997-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2017-07-04 US disclosed
US-9616037-B2 Aryl-phenyl-sulfonamido-cycloalkyl compounds and their use PIMCO 2664 LIMITED (GB) 2017-04-11 US disclosed
US-9616037-B2 Aryl-phenyl-sulfonamido-cycloalkyl compounds and their use PIMCO 2664 LIMITED (GB) 2017-04-11 US disclosed
US-9616037-B2 Aryl-phenyl-sulfonamido-cycloalkyl compounds and their use PIMCO 2664 LIMITED (GB) 2017-04-11 US disclosed
US-20160206578-A1 Aryl-Phenyl-Sulfonamido-Cycloalkyl Compounds and Their Use PIMCO 2664 LIMITED (GB) 2016-07-21 US disclosed
US-20160206578-A1 Aryl-Phenyl-Sulfonamido-Cycloalkyl Compounds and Their Use PIMCO 2664 LIMITED (GB) 2016-07-21 US disclosed
US-20160206578-A1 Aryl-Phenyl-Sulfonamido-Cycloalkyl Compounds and Their Use PIMCO 2664 LIMITED (GB) 2016-07-21 US disclosed
WO-2014135495-A1 ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-12 WO disclosed
US-8822507-B2 Aryl-phenyl-sulfonamido-cycloalkyl compounds and their use PIMCO 2664 LIMITED (GB) 2014-09-02 US disclosed
US-8822507-B2 Aryl-phenyl-sulfonamido-cycloalkyl compounds and their use PIMCO 2664 LIMITED (GB) 2014-09-02 US disclosed
US-20130245018-A1 Aryl-Phenyl-Sulfonamido-Cycloalkyl Compounds and Their Use PIMCO 2664 LIMITED (US) 2013-09-19 US disclosed
US-8435968-B2 Aryl-phenyl-sulfonamido-cycloalkyl compounds and their use PIMCO 2664 LIMITED (GB) 2013-05-07 US disclosed
US-8435968-B2 Aryl-phenyl-sulfonamido-cycloalkyl compounds and their use PIMCO 2664 LIMITED (GB) 2013-05-07 US disclosed
US-20110172189-A1 Aryl-Phenyl-Sulfonamido-Cycloalkyl Compounds and Their Use PIMCO 2664 LIMITED (GB) 2011-07-14 US disclosed
US-20110172189-A1 Aryl-Phenyl-Sulfonamido-Cycloalkyl Compounds and Their Use PIMCO 2664 LIMITED (GB) 2011-07-14 US disclosed
US-20110172189-A1 Aryl-Phenyl-Sulfonamido-Cycloalkyl Compounds and Their Use PIMCO 2664 LIMITED (GB) 2011-07-14 US disclosed
WO-2010032009-A1 ARYL-PHENYL-SULFONAMIDO-CYCLOALKYL COMPOUNDS AND THEIR USE PIMCO 2664 LIMITED (GB) 2010-03-25 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 (3 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-20110172189-A1 Aryl-Phenyl-Sulfonamido-Cycloalkyl Compounds and Their Use SOST, AADAC, ARSA MAPK1 1950/4885HTT 2591/4885SMN1; SMN2 4285/4885
US-20130245018-A1 Aryl-Phenyl-Sulfonamido-Cycloalkyl Compounds and Their Use SOST, AADAC, ARSA MAPK1 1918/4885HTT 2680/4885SMN1; SMN2 4297/4885
US-20160206578-A1 Aryl-Phenyl-Sulfonamido-Cycloalkyl Compounds and Their Use SOST, AADAC, ARSA MAPK1 1918/4885HTT 2680/4885SMN1; SMN2 4297/4885

“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.