Sugi Predict

Sugi Predict / Compounds / SCHEMBL4086413

SCHEMBL4086413

SCHEMBL4086413

COC(CC(=O)O)(OC)OC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ TBXA2R P21731 1/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ CYP2C19 P33261 2/20 0.43
▸ HIF1A Q16665 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.39
▸ CPT2 P23786 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ FFAR1 O14842 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ FFAR3 O14843 1/20 0.35
▸ ACLY P53396 3/20 0.32
▸ EGLN1 Q9GZT9 1/20 0.32

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
Phosphoric Acid SCHEMBL31116692 0.90 HMGCR (0.39) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL10740178 0.77 MGAM (0.39) TSHRALDH1A1TDP1
SCHEMBL1523144 0.74 TSHR (0.48) TSHRALDH1A1KDM4E
SCHEMBL18334444 0.74 HMGCR (0.50) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL7662459 0.74 HMGCR (0.50) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL2792859 0.74 — —
SCHEMBL347366 0.72 CYP2C19 (0.46) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL11523073 0.72 GAA (0.46) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL14904383 0.72 — —
SCHEMBL2553538 0.72 CYP2C19 (0.46) HMGCRCHRM1TBXA2RADRA1ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670460-B1 PYRAZOLE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-11-26 — — EP disclosed
US-7517900-B2 Pyrazole derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-14 — — US disclosed
EP-1670460-A4 PYRAZOLE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2008-09-03 — — EP disclosed
US-7129228-B2 Heterocyclic analgesic compounds and methods of use thereof SEPRACOR INC. (US) 2006-10-31 — — US disclosed
US-7078420-B2 Spiro-hydantoin compounds useful as anti-inflammatory agents BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-18 — — US disclosed
EP-1670460-A2 PYRAZOLE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2006-06-21 — — EP disclosed
US-6977267-B2 Spiro-hydantoin compounds useful as anti-inflammatory agents BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-20 — — US disclosed
WO-2005037199-A2 PYRAZOLE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-28 — — WO disclosed
US-20050080087-A1 Pyrazole derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2005-04-14 — — US disclosed
US-20050004153-A1 Spiro-hydantoin compounds useful as anti-inflammatory agents DHAR T G MURALI (US) 2005-01-06 — — US disclosed
US-20040248920-A1 Spiro-hydantoin compounds useful as anti-inflammatory agents DHAR T G MURALI (US) 2004-12-09 — — US disclosed
US-20040209846-A1 Heterocyclic analgesic compounds and methods of use thereof CUNY GREGORY D (US) 2004-10-21 — — US disclosed
US-20040009998-A1 Spiro-hydantoin compounds useful as anti-inflammatory agents CEREP SA (FR) 2004-01-15 — — US disclosed
US-6677332-B1 AMIDE-SUBSTITUTED PIPERIDINE OR AZEPINE DERIVATIVES TO TREAT DRUG ABUSE AND TINNITUS SEPRACOR, INC. 2004-01-13 — — US disclosed
US-6645980-B1 Ligands for biological receptors such as opiate receptors or G-protein coupled receptors used for treating pain, drug dependence or tinnitus in mammals SEPRACOR INC. 2003-11-11 — — US disclosed
US-6635661-B2 Piperidinyl amide compounds SEPRACOR INC. 2003-10-21 — — US disclosed
WO-2002069895-A2 HETEROCYCLIC ANALGESIC COMPOUNDS AND METHODS OF USE THEREOF SEPRACOR, INC. (US) 2002-09-12 — — WO disclosed
EP-1187810-A2 HETEROCYCLIC ANALGESIC COMPOUNDS AND THEIR USE SEPRACOR, INC. (US) 2002-03-20 — — EP disclosed
WO-2000071518-A2 HETEROCYCLIC ANALGESIC COMPOUNDS AND THEIR USE SEPRACOR, INC. (US) 2000-11-30 — — WO disclosed
CN-1035383-C Catalyst component for olefin polymerization HIMONT INC (US) 1997-07-09 — — 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 (5 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-20040209846-A1 Heterocyclic analgesic compounds and methods of use thereof OPRL1, TRPV1, OPRK1 HMGCR 4246/4885CHRM1 502/4885TBXA2R 67/4885
US-20040248920-A1 Spiro-hydantoin compounds useful as anti-inflammatory agents ICAM1, VCAM1, SELL HMGCR 1579/4885CHRM1 300/4885TBXA2R 331/4885
US-20040009998-A1 Spiro-hydantoin compounds useful as anti-inflammatory agents ICAM1, VCAM1, SELL HMGCR 1561/4885CHRM1 295/4885TBXA2R 299/4885
US-20050080087-A1 Pyrazole derivatives as cannabinoid receptor modulators CNR1, CNR2, NPY1R HMGCR 2507/4885CHRM1 143/4885TBXA2R 15/4885
US-20050004153-A1 Spiro-hydantoin compounds useful as anti-inflammatory agents ICAM1, VCAM1, ITGA4 HMGCR 1881/4885CHRM1 119/4885TBXA2R 502/4885

“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.