Sugi Predict

Sugi Predict / Compounds / SCHEMBL13737147

SCHEMBL13737147

SCHEMBL13737147

CC(C)(C)OC(=O)c1c(NC(=O)OCc2ccccc2)ccc(Br)c1OCC1CCN1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ CTSL P07711 1/20 0.37
▸ HRH3 Q9Y5N1 3/20 0.36
▸ ITGB3 P05106 1/20 0.35
▸ ITGA2B P08514 1/20 0.35
▸ PREP P48147 2/20 0.35
▸ F2 P00734 1/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ SYK P43405 1/20 0.34
▸ KDM1A O60341 2/20 0.34
▸ MAOA P21397 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KDM1B Q8NB78 1/20 0.34
▸ RCOR1 Q9UKL0 1/20 0.34
▸ P2RX7 Q99572 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ FKBP1A P62942 1/20 0.34
▸ CHRM3 P20309 1/20 0.34

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
SCHEMBL13737143 1.00 NPC1 (0.37) NPC1RAB9ACTSLHRH3ITGB3
SCHEMBL13827047 0.94 MEN1 (0.38) NPC1RAB9ACTSLHRH3MEN1
SCHEMBL15514426 0.84 NPC1 (0.39) NPC1RAB9ACTSLHRH3ITGB3
SCHEMBL13738146 0.84 NPC1 (0.39) NPC1RAB9ACTSLHRH3ITGB3
SCHEMBL13737363 0.76 NPC1 (0.49) NPC1RAB9ASYKMAOBL3MBTL1
SCHEMBL13737995 0.73 P2RX7 (0.48) NPC1RAB9AKMT2AP2RX7
SCHEMBL3987667 0.73 SYK (0.42) NPC1RAB9ACTSLSYKKMT2A
SCHEMBL15514972 0.72 NPC1 (0.41) NPC1RAB9AKDM1AMAOARCOR1
SCHEMBL13738422 0.72 NPC1 (0.41) NPC1RAB9AKDM1AMAOARCOR1
SCHEMBL13826852 0.69 NPC1 (0.39) NPC1RAB9ACTSLHRH3F2

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-9561230-B2 Aryl-substituted tricyclic sulfonamides as methionyl aminopeptidase 2 modulators ZAFGEN, INC. (US) 2017-02-07 — — US disclosed
US-20160256469-A1 TRICYCLIC SULFONAMIDE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2016-09-08 — — US disclosed
US-9187494-B2 Aryl-substituted tricyclic sulfonamides as methionyl aminopeptidase 2 modulators ZAFGEN, INC. (US) 2015-11-17 — — US disclosed
EP-2705036-B1 TRICYCLIC SULFONAMIDE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2015-08-12 — — EP disclosed
US-20140073623-A1 Tricyclic Sulfonamide Compounds and Methods of Making and Using Same ZAFGEN, INC. (US) 2014-03-13 — — US disclosed
EP-2705036-A1 TRICYCLIC SULFONAMIDE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC. (US) 2014-03-12 — — EP disclosed
WO-2012154678-A1 TRICYCLIC SULFONAMIDE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2012-11-15 — — 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-20140073623-A1 Tricyclic Sulfonamide Compounds and Methods of Making and Using Same DNPEP, METAP2, ANPEP NPC1 2178/4885RAB9A 4404/4885CTSL 90/4885
US-20160256469-A1 TRICYCLIC SULFONAMIDE COMPOUNDS AND METHODS OF MAKING AND USING SAME DNPEP, METAP2, ANPEP NPC1 2178/4885RAB9A 4404/4885CTSL 90/4885

“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.