Sugi Predict

Sugi Predict / Compounds / SCHEMBL535867

SCHEMBL535867

SCHEMBL535867

CCOC(=O)/C=C(/C)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.46
▸ ALDH1A1 P00352 10/20 0.41
▸ LMNA P02545 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ HPGD P15428 3/20 0.40
▸ TSHR P16473 4/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ THRB P10828 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HCAR2 Q8TDS4 1/20 0.38
▸ NOS3 P29474 1/20 0.37

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
SCHEMBL1778153 1.00 NPSR1 (0.46) NPSR1ALDH1A1LMNAUSP2ALOX12
SCHEMBL106944 1.00 NPSR1 (0.46) NPSR1ALDH1A1LMNAUSP2ALOX12
SCHEMBL7975644 0.98 NPSR1 (0.44) NPSR1ALDH1A1LMNAUSP2ALOX12
SCHEMBL11719535 0.98 NPSR1 (0.44) NPSR1ALDH1A1LMNAUSP2ALOX12
SCHEMBL11721142 0.86 CYP1A2 (0.44) NPSR1ALDH1A1TSHRL3MBTL1RAB9A
SCHEMBL27615284 0.84 TSHR (0.59) NPSR1ALDH1A1LMNAHPGDTSHR
SCHEMBL13992867 0.83 NPSR1 (0.41) NPSR1ALDH1A1L3MBTL1THRBATM
SCHEMBL13994790 0.83 NPSR1 (0.41) NPSR1ALDH1A1L3MBTL1THRBATM
SCHEMBL9370225 0.81 ALDH1A1 (0.38) ALDH1A1LMNAUSP2ALOX12HPGD
SCHEMBL5996150 0.81 ALDH1A1 (0.38) ALDH1A1LMNAUSP2ALOX12HPGD

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6281295-B1 Enamines as vulcanization accelerators for natural or synthetic rubbers GREAT LAKES CHEMICAL ITALIA S.R.L. (IT) 2001-08-28 — — US claimed
EP-4378938-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2024-06-05 — — EP disclosed
WO-2023006013-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF 上海齐鲁制药研究中心有限公司 2023-02-02 — — WO disclosed
WO-2023006013-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF 上海齐鲁制药研究中心有限公司 2023-02-02 — — WO disclosed
EP-4074708-A1 1-(4-(ISOXAZOL-5-YL)-1H-PYRAZOL-1-YL)-2-METHYLPROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS IL-7 AND IFN-GAMMA INHIBITORS FOR TREATING AUTOIMMUNE DISEASES AND CHRONIC INFLAMMATION Immunic AG (DE) 2022-10-19 — — EP disclosed
US-11292788-B2 IL-17 and IFN-gamma inhibition for the treatment of autoimmune diseases and chronic inflammation IMMUNIC AG (DE) 2022-04-05 — — US disclosed
EP-2768827-B1 PROCESS FOR THE PREPARATION OF ISOXAZOLYL-METHOXY-NICOTINIC ACIDS HOFFMANN LA ROCHE (CH) 2016-11-23 — — EP disclosed
EP-2768821-B1 SOLID FORMS OF (1,1-DIOXO-4-THIOMORPHOLINYL)-[6-[[3-(4-FLUOROPHENYL)-5-METHYL-4-ISOXAZOLYL]METHOXY]-3-PYRIDINYL]-METHANONE HOFFMANN LA ROCHE (CH) 2016-11-16 — — EP disclosed
CN-103889971-B Solid forms of (1, 1-dioxo-4-thiomorpholinyl) - [6- [ [3 (4-fluorophenyl) -5-methyl-4-isoxazolyl ] methoxy ] -3-pyridine ] -methanone 霍夫曼-拉罗奇有限公司 2016-08-31 — — CN disclosed
US-9290465-B2 Substituted isoxazole amine compounds as inhibitors of SCD1 HOFFMANN-LA ROCHE INC. (US) 2016-03-22 — — US disclosed
EP-1408042-A1 NOVEL ISOXAZOLOPYRIDONE DERIVATIVES AND USE THEREOF BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-04-14 — — EP disclosed
US-6281295-B1 Enamines as vulcanization accelerators for natural or synthetic rubbers GREAT LAKES CHEMICAL ITALIA S.R.L. (IT) 2001-08-28 — — US disclosed
EP-0735083-B1 Enamines as vulcanization accelerators for natural or synthetic rubbers GREAT LAKES CHEMICAL EUROP (CH) 2000-02-09 — — EP disclosed
EP-0735083-A1 Enamines as vulcanization accelerators for natural or synthetic rubbers GREAT LAKES CHEMICAL ITALIA S.r.l. (IT) 1996-10-02 — — EP disclosed
US-4080334-A Intermediates in the total synthesis employing substituted isoxazole derivatives HOFFMANN-LA ROCHE INC. (US) 1978-03-21 — — US disclosed
US-4044004-A Total steroid synthesis employing substituted isoxazole derivatives HOFFMANN-LA ROCHE INC. (US) 1977-08-23 — — US disclosed
US-4027037-A ARTHROPOD METAMORPHOSIS INHIBITORS BAYER AKTIENGESELLSCHAFT (DT) 1977-05-31 — — US disclosed
US-3985771-A Total steroid synthesis employing substituted isoxazole derivatives HOFFMANN-LA ROCHE INC. (US) 1976-10-12 — — US disclosed
US-3984428-A Isoxazolyl-substituted perhydrobenzindenes HOFFMANN-LA ROCHE INC. (US) 1976-10-05 — — US disclosed
US-3984427-A Preparation of vinyl lactones and corresponding Mannich bases HOFFMANN-LA ROCHE INC. (US) 1976-10-05 — — US 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 (1 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-11292788-B2 IL-17 and IFN-gamma inhibition for the treatment of autoimmune diseases and chronic inflammation IFNG, IL17A, IFNAR1 NPSR1 2195/4885ALDH1A1 1850/4885LMNA 3556/4885

“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.