SCHEMBL6844846

SCHEMBL6844846

NCCOc1c(-c2ccoc2)ccc(CS(=O)(=O)c2cccc(Cl)c2)c1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 7/20 0.36
SERPINE1 P05121 5/20 0.35
MCL1 Q07820 1/20 0.35
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
PLAU P00749 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
FBP1 P09467 1/20 0.32
CSNK2A1 P68400 1/20 0.31

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 SCHEMBL1649394 0.99 METAP2 (0.35) METAP2SERPINE1MCL1FABP4FABP5
SCHEMBL1649388 0.90 METAP2 (0.39) METAP2MCL1FABP4FABP5PLAU
Hydrochloric Acid SCHEMBL1648336 0.89 METAP2 (0.39) METAP2MCL1FABP4FABP5PLAU
SCHEMBL1648187 0.87 METAP2 (0.48) METAP2SERPINE1MCL1FABP4FABP5
SCHEMBL6844903 0.86 METAP2 (0.39) METAP2MCL1FABP4FABP5PLAU
Hydrochloric Acid SCHEMBL1648362 0.85 METAP2 (0.39) METAP2MCL1FABP4FABP5PLAU
SCHEMBL6844869 0.84 ALDH1A1 (0.40) METAP2MCL1CYP2D6CYP2C19FBP1
SCHEMBL6844852 0.84 METAP2 (0.50) METAP2FABP4FABP5
Hydrochloric Acid SCHEMBL1648721 0.83 METAP2 (0.49) METAP2FABP4FABP5
SCHEMBL1648728 0.82 METAP2 (0.41) METAP2MCL1FABP4FABP5

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 1/4885SERPINE1 520/4885MCL1 4256/4885

“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.