SCHEMBL6844906

SCHEMBL6844906

CC(N)COc1c(-c2ccoc2)ccc(CS(=O)(=O)c2ccccc2)c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 4/20 0.40
NAT1 P18440 3/20 0.34
ALOX5AP P20292 1/20 0.33
KEAP1 Q14145 3/20 0.33
NFE2L2 Q16236 1/20 0.33
MCL1 Q07820 1/20 0.32
GPR88 Q9GZN0 1/20 0.32
FABP4 P15090 1/20 0.31
FABP5 Q01469 1/20 0.31
SCN4A P35499 3/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
KCNK3 O14649 1/20 0.30
CACNA1F O60840 1/20 0.30
KCNK2 O95069 1/20 0.30

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
Hydrochloric Acid SCHEMBL1648036 0.99 METAP2 (0.39) METAP2NAT1ALOX5APKEAP1NFE2L2
SCHEMBL1648269 0.87 METAP2 (0.43) METAP2NAT1MCL1FABP4FABP5
SCHEMBL1648491 0.87 METAP2 (0.36) METAP2NAT1ALOX5APFABP4FABP5
SCHEMBL1649388 0.85 METAP2 (0.39) METAP2NAT1ALOX5APMCL1FABP4
SCHEMBL6844903 0.85 METAP2 (0.39) METAP2NAT1ALOX5APMCL1FABP4
SCHEMBL1649172 0.85 METAP2 (0.39) METAP2NAT1ALOX5APMCL1FABP4
SCHEMBL1648728 0.85 METAP2 (0.41) METAP2NAT1ALOX5APMCL1FABP4
SCHEMBL1647756 0.85 METAP2 (0.53) METAP2NAT1KEAP1NFE2L2FABP4
Hydrochloric Acid SCHEMBL1648336 0.85 METAP2 (0.39) METAP2NAT1ALOX5APMCL1FABP4
SCHEMBL1649915 0.85 METAP2 (0.43) METAP2NAT1KEAP1MCL1FABP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2486004-B1 SULPHONE COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY ZAFGEN INC (US) 2017-05-03 EP disclosed
US-9067905-B2 Sulphone compounds and methods of making and using same ZAFGEN, INC. (US) 2015-06-30 US disclosed
US-9067905-B2 Sulphone compounds and methods of making and using same ZAFGEN, INC. (US) 2015-06-30 US disclosed
US-20130053364-A1 Sulphone Compounds and Methods of Making and Using Same ZAFGEN, INC. 2013-02-28 US disclosed
US-20130053364-A1 Sulphone Compounds and Methods of Making and Using Same ZAFGEN, INC. 2013-02-28 US disclosed
WO-2011044506-A2 SULPHONE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2011-04-14 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-20130053364-A1 Sulphone Compounds and Methods of Making and Using Same METAP2, DNPEP, STS METAP2 1/4885NAT1 136/4885ALOX5AP 1081/4885

“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.