SCHEMBL571192

SCHEMBL571192

CCN(CC)CC1CN(C(=O)O)CCO1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 12/20 0.40
METAP2 P50579 1/20 0.40
CYP19A1 P11511 3/20 0.36
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 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
SCHEMBL28506422 0.84 PDK1 (0.45) PDK1CYP19A1
SCHEMBL18125939 0.84 PDK1 (0.45) PDK1CYP19A1
SCHEMBL18528191 0.82 PDK1 (0.44) PDK1KDM4EALDH1A1HTT
SCHEMBL17893277 0.82 PDK1 (0.44) PDK1KDM4EALDH1A1HTT
SCHEMBL554171 0.80 USP2 (0.47) PDK1METAP2KDM4EALDH1A1
SCHEMBL554172 0.80 USP2 (0.47) PDK1METAP2KDM4EALDH1A1
SCHEMBL555277 0.80 USP2 (0.47) PDK1METAP2KDM4EALDH1A1
SCHEMBL3488393 0.78 PDK1 (0.42) PDK1CYP19A1KDM4EALDH1A1
SCHEMBL4447216 0.78 PDK1 (0.42) PDK1CYP19A1KDM4EALDH1A1
SCHEMBL17559027 0.78 PDK1 (0.42) PDK1CYP19A1KDM4EALDH1A1

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 20 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
EP-3601282-B1 NOVEL PYRIDO[2,3-B]INDOLE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION HOFFMANN LA ROCHE (CH) 2021-07-21 EP disclosed
US-20200339603-A1 Novel pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection HOFFMANN-LA ROCHE INC. (US) 2020-10-29 US disclosed
US-10662203-B2 Pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection HOFFMANN-LA ROCHE INC. (US) 2020-05-26 US disclosed
EP-3601282-A1 NOVEL PYRIDO[2,3-B]INDOLE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION H. Hoffnabb-La Roche Ag (CH) 2020-02-05 EP disclosed
US-20190084969-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2019-03-21 US disclosed
US-20190084968-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2019-03-21 US disclosed
US-20180327425-A1 Novel pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection HOFFMANN-LA ROCHE INC. (US) 2018-11-15 US disclosed
WO-2018178041-A1 Novel pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection F. HOFFMANN-LA ROCHE AG (CH) 2018-10-04 WO 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
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 (8 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 1377/4885METAP2 1/4885CYP19A1 468/4885
US-20170066749-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FAP, FOLH1 PDK1 1377/4885METAP2 1/4885CYP19A1 468/4885
US-20170342058-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FAP, FOLH1 PDK1 1377/4885METAP2 1/4885CYP19A1 468/4885
US-20180327425-A1 Novel pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection IDO1, IDO2, TDO2 PDK1 2578/4885METAP2 2265/4885CYP19A1 2253/4885
US-20190084968-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FAP, FOLH1 PDK1 1377/4885METAP2 1/4885CYP19A1 468/4885
US-20200339603-A1 Novel pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection IDO1, IDO2, TDO2 PDK1 2578/4885METAP2 2265/4885CYP19A1 2253/4885
US-10662203-B2 Pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection IDO1, IDO2, KYNU PDK1 2523/4885METAP2 1815/4885CYP19A1 1809/4885
US-10023561-B2 Fumagillol heterocyclic compounds and methods of making and using same METAP2, FAP, FOLH1 PDK1 1377/4885METAP2 1/4885CYP19A1 468/4885

“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.