Sugi Predict

Sugi Predict / Compounds / Isobutyramide

Isobutyramide

Isobutyramide

SCHEMBL2428256

CC(C)C(N)=O.CCOC(C)OCC

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.60
▸ ALOX15 P16050 1/20 0.40
▸ THRB P10828 1/20 0.35
▸ EPHX1 P07099 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ CHRM5 P08912 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ GABRP O00591 2/20 0.31
▸ GABRD O14764 2/20 0.31
▸ GABRA1 P14867 2/20 0.31

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
Isobutyramide SCHEMBL11523528 0.95 LMNA (0.55) LMNAALOX15THRBEPHX1CA1
Urea SCHEMBL1377094 0.90 LMNA (0.67) LMNAALOX15THRBALDH1A1MEN1
Acetamide SCHEMBL6279784 0.87 LMNA (0.63) LMNAALOX15THRBALDH1A1MEN1
Carbamic Acid SCHEMBL5387548 0.87 LMNA (0.63) LMNAALOX15THRBALDH1A1MEN1
Acetone SCHEMBL590699 0.81 LMNA (0.71) LMNAALOX15THRBALDH1A1TSHR
Bicarbonate SCHEMBL28942687 0.81 LMNA (0.71) LMNAALOX15THRBALDH1A1GABRP
Bicarbonate SCHEMBL5374586 0.81 LMNA (0.71) LMNAALOX15THRBALDH1A1GABRP
Bicarbonate SCHEMBL28895866 0.81 LMNA (0.71) LMNAALOX15THRBALDH1A1GABRP
SCHEMBL11342600 0.81 LMNA (0.55) LMNAALOX15THRBALDH1A1HPGD
SCHEMBL5243851 0.81 LMNA (0.55) LMNAALOX15THRBALDH1A1

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
CN-106029660-B P2X3And/or P2X2/3Compounds and methods 阿萨纳生物科技有限责任公司 2019-11-15 — — CN disclosed
CN-106660960-B The substituted pyridine compounds of the alkyl-amide-of regulator as IL-12, IL-23 and/or IFN α response BRISTOL-MYERS SQUIBB CO. (US) 2019-11-08 — — CN disclosed
CN-106029660-A P2X 3 and/or P2X 2/3 compounds and methods 阿萨纳生物科技有限责任公司 2016-10-12 — — CN disclosed
EP-1956013-B1 DIAGNOSTIC AND REMEDY FOR DISEASE CAUSED BY AMYLOID AGGREGATION AND/OR DEPOSITION FUJIFILM RI PHARMA CO LTD (JP) 2016-04-13 — — EP disclosed
US-8022075-B2 Diagnostic and remedy for disease caused by amyloid aggregation and/or deposition FUJIFILM RI PHARMA CO., LTD. (JP) 2011-09-20 — — US disclosed
US-20090162283-A1 DIAGNOSTIC AND REMEDY FOR DISEASE CAUSED BY AMYLOID AGGREGATION AND/OR DEPOSITION FUJIFILM RI PHARMA CO., LTD. (JP) 2009-06-25 — — US disclosed
EP-1956013-A1 DIAGNOSTIC AND REMEDY FOR DISEASE CAUSED BY AMYLOID AGGREGATION AND/OR DEPOSITION Fujifilm RI Pharma Co., Ltd. (JP) 2008-08-13 — — EP disclosed
US-7105517-B2 Thiazolyl substituted aminopyrimidines as plant protection agents SYNGENTA CROP PROTECTION, INC. (US) 2006-09-12 — — US disclosed
EP-1434776-B1 THIAZOLYL SUBSTITUTED AMINOPYRIMIDINES AS PLANT PROTECTION AGENTS SYNGENTA PARTICIPATIONS AG (CH) 2006-06-28 — — EP disclosed
EP-1581479-A1 PROCESS FOR THE SYNTHESIS OF 3,3A,6,6A-TETRAHYDRO-2H-CYCLOPENTAN[B]FURAN-2-ONE Pharmacia & Upjohn Company LLC (US) 2005-10-05 — — EP disclosed
EP-1539748-A1 2-PHENYLPYRIDIN-4-YL DERIVATIVES AS ALK5 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-06-15 — — EP disclosed
US-20050038059-A1 Thiazolyl substituted aminopyrimidines as plant protection agents SYNGENTA CROP PROTECTION, INC. 2005-02-17 — — US disclosed
US-20040147775-A1 Process for the synthesis of 3.3A.6.6A-tetrahydro-2H-cyclopentan[b]furan-2-one PHARMACIA & UPJOHN COMPANY 2004-07-29 — — US disclosed
WO-2004056749-A1 PROCESS FOR THE SYNTHESIS OF 3,3A,6,6A-TETRAHYDRO-2H-CYCLOPENTAN ‘B ! FURAN-2-ONE PHARMACIA & UPJOHN COMPANY LLC (US) 2004-07-08 — — WO disclosed
EP-1434776-A1 THIAZOLYL SUBSTITUTED AMINOPYRIMIDINES AS PLANT PROTECTION AGENTS Syngenta Participations AG (CH) 2004-07-07 — — EP disclosed
WO-2004013135-A1 2-PHENYLPYRIDIN-4-YL DERIVATIVES AS ALK5 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-02-12 — — WO disclosed
WO-2003029249-A1 THIAZOLYL SUBSTITUTED AMINOPYRIMIDINES AS PLANT PROTECTION AGENTS SYNGENTA PARTICIPATIONS AG (CH) 2003-04-10 — — 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 (3 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-20050038059-A1 Thiazolyl substituted aminopyrimidines as plant protection agents RARS2, CYP4X1, QDPR LMNA 4645/4885ALOX15 4511/4885THRB 1045/4885
US-20040147775-A1 Process for the synthesis of 3.3A.6.6A-tetrahydro-2H-cyclopentan[b]furan-2-one CYP1B1, CYP4F3, CYP4B1 LMNA 2760/4885ALOX15 1052/4885THRB 4024/4885
US-20090162283-A1 DIAGNOSTIC AND REMEDY FOR DISEASE CAUSED BY AMYLOID AGGREGATION AND/OR DEPOSITION APP, TTR, BACE1 LMNA 1272/4885ALOX15 3857/4885THRB 2706/4885

“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.