SCHEMBL571237

SCHEMBL571237

CCN(CC)CC1COCCN1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 4/20 0.38
▸ POLB P06746 1/20 0.36
▸ PDK2 Q15119 1/20 0.36
▸ PDK3 Q15120 1/20 0.36
▸ DPP4 P27487 1/20 0.32
▸ CA12 O43570 2/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ HRH3 Q9Y5N1 2/20 0.32
▸ FKBP1A P62942 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ HTT P42858 1/20 0.30
▸ TSHR P16473 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
SCHEMBL28185123 0.84 POLB (0.40) PDK1POLBPDK2PDK3CA12
SCHEMBL17893278 0.82 PDK1 (0.42) PDK1POLBPDK2PDK3DPP4
SCHEMBL554535 0.80 USP2 (0.43) PDK1PDK2PDK3
SCHEMBL554773 0.80 USP2 (0.43) PDK1PDK2PDK3
SCHEMBL554536 0.80 USP2 (0.43) PDK1PDK2PDK3
SCHEMBL16797367 0.78 PDK1 (0.41) PDK1PDK2PDK3DPP4CA12
SCHEMBL18497425 0.78 HRH3 (0.37) HRH3
SCHEMBL18497648 0.78 HRH3 (0.37) HRH3
SCHEMBL18497423 0.78 HRH3 (0.37) HRH3
SCHEMBL5560259 0.76 PDK1 (0.59) PDK1POLBPDK2PDK3DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3334728-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME Zafgen, Inc. (US) 2018-06-20 — — EP claimed
WO-2017027684-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. (US) 2017-02-16 — — WO claimed
US-20190084968-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2019-03-21 — — US disclosed
US-20190084969-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2019-03-21 — — US disclosed
US-10023561-B2 Fumagillol heterocyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2018-07-17 — — US disclosed
EP-3334728-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME Zafgen, Inc. (US) 2018-06-20 — — EP disclosed
CN-105367482-B N acyl sulfonamides apoptosis accelerator 阿斯利康(瑞典)有限公司 2017-12-12 — — CN disclosed
US-20170342058-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2017-11-30 — — US disclosed
US-9682965-B2 Fumagillol heterocyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2017-06-20 — — US disclosed
US-20170066749-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2017-03-09 — — US disclosed
WO-2017027684-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. (US) 2017-02-16 — — WO disclosed
EP-2601177-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS AstraZeneca AB (SE) 2013-06-12 — — EP disclosed
WO-2012017251-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ASTRAZENECA AB (SE) 2012-02-09 — — 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 (5 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-20190084969-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FAP, FOLH1 PDK1 1377/4885POLB 1642/4885PDK2 894/4885
US-20170066749-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FAP, FOLH1 PDK1 1377/4885POLB 1642/4885PDK2 894/4885
US-20170342058-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FAP, FOLH1 PDK1 1377/4885POLB 1642/4885PDK2 894/4885
US-20190084968-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FAP, FOLH1 PDK1 1377/4885POLB 1642/4885PDK2 894/4885
US-10023561-B2 Fumagillol heterocyclic compounds and methods of making and using same METAP2, FAP, FOLH1 PDK1 1377/4885POLB 1642/4885PDK2 894/4885

“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.

Send feedback