Sugi Predict

Sugi Predict / Compounds / SCHEMBL1107364

SCHEMBL1107364

SCHEMBL1107364

CCC(=O)OC(C)(C)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.35
▸ CTSK P43235 1/20 0.34
▸ KCNH2 Q12809 2/20 0.33
▸ OPRM1 P35372 2/20 0.33
▸ OPRD1 P41143 2/20 0.33
▸ MRGPRX2 Q96LB1 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ HRH2 P25021 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ NAAA Q02083 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ CYP2D6 P10635 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA7 P43166 1/20 0.31
▸ TDP1 Q9NUW8 2/20 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
SCHEMBL28745604 0.84 CTSK (0.32) ALDH1A1CTSKKCNH2OPRM1OPRD1
SCHEMBL14685290 0.84 KCNH2 (0.37) ALDH1A1KCNH2OPRM1OPRD1MRGPRX2
SCHEMBL14178083 0.84 KCNH2 (0.31) ALDH1A1KCNH2OPRM1OPRD1MRGPRX2
SCHEMBL28312360 0.82 TSHR (0.39) ALDH1A1CTSKADRA1ACYP2D6CA1
SCHEMBL2611784 0.81 ALDH1A1 (0.48) ALDH1A1CTSKALOX15FFAR3LMNA
SCHEMBL21523303 0.81 KCNH2 (0.35) ALDH1A1CTSKKCNH2OPRM1OPRD1
SCHEMBL4955001 0.78 TRPA1 (0.41) ALDH1A1CTSKCYP2D6
SCHEMBL7967677 0.78 CTSK (0.30) CTSKCYP2D6
SCHEMBL14073854 0.78 MMP1 (0.42) ALDH1A1ALOX15CYP2D6CA2TDP1
SCHEMBL28138416 0.78 KDM4E (0.31) CTSKCYP2D6TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115052856-A 3-alkoxybenzamide derivative and pest control agent 组合化学工业株式会社 2022-09-13 — — CN disclosed
US-9988394-B2 Oxabicycloheptane prodrugs LIXTE BIOTECHNOLOGY INC. (US) 2018-06-05 — — US disclosed
US-20160333024-A1 OXABICYCLOHEPTANE PRODRUGS LIXTE BIOTECHNOLOGY, INC. (US) 2016-11-17 — — US disclosed
US-8324401-B2 Indane modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 — — US disclosed
US-8309730-B2 Nonsteroidal compounds useful as modulators of glucocorticoid receptor AP-1 and/or NF-kappab acitivity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-13 — — US disclosed
US-8273777-B2 Glucokinase activators and methods of using same BRISTOL-MEYER SQUIBB COMPANY (US) 2012-09-25 — — US disclosed
US-8222285-B2 1,3-dihydroxy substituted phenylamide glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-17 — — US disclosed
US-8198311-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-12 — — US disclosed
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2012-06-07 — — US disclosed
US-8153677-B2 Substituted pyrazolylamide compounds useful as glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-10 — — US disclosed
US-20080021052-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2008-01-24 — — US disclosed
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2008-01-10 — — US disclosed
US-7317024-B2 Heterocyclic modulators of the glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB CO. (US) 2008-01-08 — — US disclosed
US-20070270453-A1 TRICYCLIC MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2007-11-22 — — US disclosed
US-7273881-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-25 — — US disclosed
US-20070185056-A1 Indane modulators of glucocorticoid receptor, AP-1, and/or NF/kB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY 2007-08-09 — — US disclosed
US-7253283-B2 Tricyclic modulators of the glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-07 — — US disclosed
US-20070179189-A1 Modulators of the glucocorticoid receptor, AP-1, and/or NF-kB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY 2007-08-02 — — US disclosed
US-20070129400-A1 Modulators of glucocorticoid receptor, AP-1, and/or NF-kB activity, and use thereof BRISTOL-MYERS SQUIBB COMPANY 2007-06-07 — — US disclosed
US-20060264457-A1 Pyrrolopyridine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY 2006-11-23 — — 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 (9 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-20070129400-A1 Modulators of glucocorticoid receptor, AP-1, and/or NF-kB activity, and use thereof NR0B1, NR3C1, NFKB2 ALDH1A1 3765/4885CTSK 2506/4885KCNH2 3024/4885
US-20060264457-A1 Pyrrolopyridine-based inhibitors of dipeptidyl peptidase IV and methods DPP4, DPP9, DPP3 ALDH1A1 799/4885CTSK 323/4885KCNH2 1392/4885
US-20070270453-A1 TRICYCLIC MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFRKB, NFKBIA, NFKB1 ALDH1A1 3536/4885CTSK 975/4885KCNH2 3572/4885
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 ALDH1A1 4620/4885CTSK 451/4885KCNH2 716/4885
US-20160333024-A1 OXABICYCLOHEPTANE PRODRUGS UGT2B7, UGT1A6, UGT1A1 ALDH1A1 259/4885CTSK 2675/4885KCNH2 3692/4885
US-20080021052-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, NR4A3 ALDH1A1 3887/4885CTSK 951/4885KCNH2 614/4885
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 ALDH1A1 4539/4885CTSK 497/4885KCNH2 634/4885
US-20070185056-A1 Indane modulators of glucocorticoid receptor, AP-1, and/or NF/kB activity and use thereof NFKB1, NR3C1, NR5A1 ALDH1A1 2955/4885CTSK 4555/4885KCNH2 2399/4885
US-20070179189-A1 Modulators of the glucocorticoid receptor, AP-1, and/or NF-kB activity and use thereof NFRKB, NFKBIA, NFKB2 ALDH1A1 3167/4885CTSK 2086/4885KCNH2 4456/4885

“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.