Sugi Predict

Sugi Predict / Compounds / SCHEMBL436897

SCHEMBL436897

SCHEMBL436897

COC(=O)c1c(NS(=O)(=O)c2ccc(F)cc2C=CCN2CCOCC2)ccc2c1OCc1occc1-2

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 11/20 0.48
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ PIK3CA P42336 7/20 0.35
▸ PIK3CD O00329 3/20 0.35
▸ PIK3CB P42338 3/20 0.35
▸ PIK3CG P48736 3/20 0.35
▸ MTOR P42345 3/20 0.35
▸ PIK3R1 P27986 2/20 0.35
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL10284264 1.00 METAP2 (0.48) METAP2KDM4EALDH1A1TSHRPIK3CA
SCHEMBL463495 0.94 METAP2 (0.52) METAP2PIK3CAMTOR
SCHEMBL437594 0.94 METAP2 (0.52) METAP2PIK3CAMTOR
SCHEMBL434076 0.94 METAP2 (0.54) METAP2PIK3CA
SCHEMBL462364 0.94 METAP2 (0.54) METAP2PIK3CA
SCHEMBL10283920 0.92 METAP2 (0.55) METAP2PIK3CA
SCHEMBL435183 0.92 METAP2 (0.55) METAP2PIK3CA
SCHEMBL16289951 0.88 METAP2 (0.47) METAP2KDM4EALDH1A1TSHRPIK3CA
SCHEMBL461174 0.88 METAP2 (0.42) METAP2
SCHEMBL461173 0.88 METAP2 (0.42) METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9839623-B2 Tricyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2017-12-12 — — US disclosed
US-20160354338-A1 TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2016-12-08 — — US disclosed
US-9266896-B2 Tricyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2016-02-23 — — US disclosed
EP-2595988-B1 TRICYCLIC COMPOUNDS AND METHDS OF MAKING AND USING SAME ZAFGEN INC (US) 2014-12-17 — — EP disclosed
EP-2595988-A1 TRICYCLIC COMPOUNDS AND METHDS OF MAKING AND USING SAME Zafgen, Inc. (US) 2013-05-29 — — EP disclosed
US-20130123235-A1 Tricyclic Compounds and Methods of Making and Using Same ZAFGEN, INC. 2013-05-16 — — US disclosed
WO-2012012642-A1 TRICYCLIC COMPOUNDS AND METHDS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2012-01-26 — — 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 (2 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-20130123235-A1 Tricyclic Compounds and Methods of Making and Using Same CES2, DNPEP, METAP2 METAP2 3/4885KDM4E 1272/4885ALDH1A1 855/4885
US-20160354338-A1 TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME CES2, DNPEP, METAP2 METAP2 3/4885KDM4E 1272/4885ALDH1A1 855/4885

“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.