Sugi Predict

Sugi Predict / Compounds / SCHEMBL4446965

SCHEMBL4446965

SCHEMBL4446965

N#CCC(O)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ KCNA5 P22460 7/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ KCNE1 P15382 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ TP53 P04637 1/20 0.36
▸ KCNJ5 P48544 1/20 0.36
▸ KCNJ3 P48549 1/20 0.36

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
SCHEMBL4446960 1.00 SMN1; SMN2 (0.45) SMN1; SMN2MEN1GAAKMT2ASLC6A2
SCHEMBL6282303 0.81 SLC6A2 (0.41) SMN1; SMN2MEN1GAAKMT2ASLC6A2
SCHEMBL30910020 0.78 SLC6A2 (0.48) SMN1; SMN2MEN1GAAKMT2ASLC6A2
SCHEMBL9921703 0.78 SMN1; SMN2 (0.45) SMN1; SMN2MEN1GAAKMT2ASLC6A2
Hydrochloric Acid SCHEMBL31482123 0.76 SMN1; SMN2 (0.41) SMN1; SMN2MEN1GAAKMT2ASLC6A2
SCHEMBL31744336 0.76 KCNA5 (0.52) SMN1; SMN2MEN1GAAKMT2ASLC6A2
SCHEMBL30663811 0.76 SLC6A2 (0.47) SMN1; SMN2MEN1GAAKMT2ASLC6A2
SCHEMBL506917 0.76 KCNA5 (0.52) SMN1; SMN2MEN1GAAKMT2ASLC6A2
SCHEMBL6481541 0.76 SLC6A2 (0.47) SMN1; SMN2MEN1GAAKMT2ASLC6A2
SCHEMBL7268370 0.76 KCNA5 (0.52) SMN1; SMN2MEN1GAAKMT2ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040181058-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2004-09-16 — — US claimed
CN-1497048-A Method for preparing 3-heteroarylradical-3-hydroxy-propionic acid derivative 拜尔公司 2004-05-19 — — CN claimed
US-12220419-B2 BCL-2 inhibitors NEWAVE PHARMACEUTICAL INC. (US) 2025-02-11 — — US disclosed
US-20230295183-A1 HOT MELT EXTRUDED SOLID DISPERSIONS CONTAINING A BCL2 INHIBITOR NEWAVE PHARMACEUTICAL INC. 2023-09-21 — — US disclosed
CN-116270660-A Bcl-2/Bcl-xl inhibitor-containing composition and preparation method and application thereof 广州麓鹏制药有限公司 2023-06-23 — — CN disclosed
CN-116236583-A Bcl-2/Bcl-xl inhibitor-containing composition and preparation method and application thereof 广州麓鹏制药有限公司 2023-06-09 — — CN disclosed
EP-4110298-A1 HOT MELT EXTRUDED SOLID DISPERSIONS CONTAINING A BCL2 INHIBITOR Guangzhou Lupeng Pharmaceutical Company Ltd. (CN) 2023-01-04 — — EP disclosed
CN-115484933-A Hot melt extrusion solid dispersions containing BCL2 inhibitors 广州麓鹏制药有限公司 2022-12-16 — — CN disclosed
US-20220372042-A1 CONDENSED HETEROCYCLES AS BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. 2022-11-24 — — US disclosed
US-20210315904-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. 2021-10-14 — — US disclosed
WO-2021066873-A1 CONDENSED HETEROCYCLES AS BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2021-04-08 — — WO disclosed
WO-2020041406-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2020-02-27 — — WO disclosed
CN-100510093-C Method for preparing 3-heteroarylradical-3-hydroxy-propionic acid derivative SALTIGO GMBH (DE) 2009-07-08 — — CN disclosed
US-7553970-B2 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2009-06-30 — — US disclosed
US-20060264641-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives BERENDES FRANK 2006-11-23 — — US disclosed
US-20040181058-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2004-09-16 — — US disclosed
CN-1497048-A Method for preparing 3-heteroarylradical-3-hydroxy-propionic acid derivative 拜尔公司 2004-05-19 — — CN 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 (6 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-20230295183-A1 HOT MELT EXTRUDED SOLID DISPERSIONS CONTAINING A BCL2 INHIBITOR BCL2, BCL2L1, BCL2L2 SMN1; SMN2 507/4885MEN1 2011/4885GAA 3433/4885
US-20210315904-A1 BCL-2 INHIBITORS BCL2L10, BCL2, BCL2L11 SMN1; SMN2 1293/4885MEN1 2181/4885GAA 2025/4885
US-20040181058-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives HPD, HAAO, GRHPR SMN1; SMN2 4276/4885MEN1 4409/4885GAA 636/4885
US-12220419-B2 BCL-2 inhibitors BCL2L10, BCL2, BCL2L11 SMN1; SMN2 1293/4885MEN1 2181/4885GAA 2025/4885
US-20220372042-A1 CONDENSED HETEROCYCLES AS BCL-2 INHIBITORS BCL2L11, BCL2L10, BCL2 SMN1; SMN2 1661/4885MEN1 1720/4885GAA 2366/4885
US-20060264641-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives HPD, HAAO, GRHPR SMN1; SMN2 4276/4885MEN1 4409/4885GAA 636/4885

“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.