Sugi Predict

Sugi Predict / Compounds / SCHEMBL1648645

SCHEMBL1648645

SCHEMBL1648645

CN(C)CCOc1c(-c2ccoc2)ccc(CS(=O)(=O)c2ccccc2)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 5/20 0.42
▸ ALDH1A1 P00352 5/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MCL1 Q07820 1/20 0.34
▸ FABP4 P15090 1/20 0.33
▸ FABP5 Q01469 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ SIRT3 Q9NTG7 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ TACR3 P29371 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ GBA1 P04062 1/20 0.32
▸ NAT1 P18440 1/20 0.32
▸ HRH1 P35367 1/20 0.32

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 SCHEMBL1647980 0.99 METAP2 (0.42) METAP2ALDH1A1KDM4ESMN1; SMN2MCL1
SCHEMBL1648086 0.92 METAP2 (0.41) METAP2ALDH1A1KDM4ESMN1; SMN2MCL1
SCHEMBL1648728 0.89 METAP2 (0.41) METAP2MCL1FABP4FABP5NAT1
SCHEMBL1648904 0.89 PDK2 (0.38) METAP2MCL1FABP4FABP5NAT1
SCHEMBL18784219 0.89 METAP2 (0.36) METAP2ALDH1A1KDM4ESMN1; SMN2MCL1
SCHEMBL1649915 0.89 METAP2 (0.43) METAP2MCL1FABP4FABP5NAT1
SCHEMBL1649388 0.87 METAP2 (0.39) METAP2MCL1FABP4FABP5NAT1
SCHEMBL6844903 0.87 METAP2 (0.39) METAP2MCL1FABP4FABP5NAT1
SCHEMBL1648269 0.87 METAP2 (0.43) METAP2MCL1FABP4FABP5NPC1
SCHEMBL1647731 0.87 METAP2 (0.42) METAP2ALDH1A1KDM4EMCL1FABP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2486004-A2 SULPHONE COMPOUNDS AND METHODS OF MAKING AND USING SAME Zafgen Corporation (US) 2012-08-15 — — EP claimed
WO-2011044506-A2 SULPHONE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2011-04-14 — — WO claimed
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
CN-102639494-A Sulphone compounds and methods of making and using same ZAFGEN CORP 2012-08-15 — — CN 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 1/4885ALDH1A1 360/4885KDM4E 974/4885

“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.