Sugi Predict

Sugi Predict / Compounds / SCHEMBL333688

SCHEMBL333688

SCHEMBL333688

COC(=O)CC(=O)c1ccc(C(=O)OC)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.57
▸ CA2 P00918 2/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ CA12 O43570 1/20 0.57
▸ CA7 P43166 1/20 0.57
▸ CA9 Q16790 1/20 0.57
▸ CA14 Q9ULX7 1/20 0.57
▸ MAPT P10636 5/20 0.57
▸ LOXL2 Q9Y4K0 1/20 0.55
▸ TSHR P16473 1/20 0.54
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ RAB9A P51151 4/20 0.53
▸ NPC1 O15118 3/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ AGTR1 P30556 1/20 0.53
▸ CYP4A11 Q02928 2/20 0.50
▸ CYP4F2 P78329 1/20 0.49

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
SCHEMBL17295082 1.00 CA1 (0.57) CA1CA2TDP1CA12CA7
SCHEMBL11391147 0.89 CA1 (0.64) CA1CA2TDP1CA12CA7
SCHEMBL13516645 0.85 ALDH1A1 (0.55) CA1CA2TDP1CA12CA7
SCHEMBL10539937 0.84 ALDH1A1 (0.54) TDP1MAPTLOXL2TSHRMEN1
SCHEMBL1201267 0.83 NPC1 (0.62) TDP1MAPTMEN1KMT2ARAB9A
SCHEMBL21456549 0.83 SMN1; SMN2 (0.52) TDP1MAPTMEN1KMT2ARAB9A
SCHEMBL434768 0.83 CA12 (0.57) CA1CA2TDP1CA12CA7
SCHEMBL9854620 0.83 TSHR (0.59) CA1CA2TDP1CA12CA7
SCHEMBL3042554 0.83 CA1 (0.57) CA1CA2TDP1CA12CA7
SCHEMBL14918369 0.83 CA1 (0.52) CA1CA2TDP1CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024148274-A1 COMPLEMENT INHIBITION APELLIS PHARMACEUTICALS, INC. (US) 2024-07-11 — — WO disclosed
WO-2024148274-A1 COMPLEMENT INHIBITION APELLIS PHARMACEUTICALS, INC. (US) 2024-07-11 — — WO disclosed
US-10953012-B2 Heterocyclic compounds for the inhibition of pask BIOENERGENIX LLC (US) 2021-03-23 — — US disclosed
US-10953012-B2 Heterocyclic compounds for the inhibition of pask BIOENERGENIX LLC (US) 2021-03-23 — — US disclosed
US-20200172532-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2020-06-04 — — US disclosed
US-9682938-B2 Pyrazolone derivatives as nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2017-06-20 — — US disclosed
EP-2789615-B1 Azaindazoles as Btk kinase modulators and use thereof BRISTOL MYERS SQUIBB CO (US) 2017-05-03 — — EP disclosed
EP-2789615-B1 Azaindazoles as Btk kinase modulators and use thereof BRISTOL MYERS SQUIBB CO (US) 2017-05-03 — — EP disclosed
EP-3148972-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS Cardioxyl Pharmaceuticals Inc. (US) 2017-04-05 — — EP disclosed
WO-2015183839-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. (US) 2015-12-03 — — WO disclosed
EP-1836205-B1 PYRAZOLO[1,5-A]PYRIMIDINE ADENOSINE A2a RECEPTOR ANTAGONISTS SCHERING CORP (US) 2009-06-10 — — EP disclosed
US-20090076004-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2009-03-19 — — US disclosed
CN-101142185-A Indoles useful in the treatment of inflammation BIOLIPOX AB (SE) 2008-03-12 — — CN disclosed
EP-1841735-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-10 — — EP disclosed
US-7087614-B2 Pyrimidine inhibitors of phosphodiesterase (PDE) 7 BRISTOL-MYERS SQUIBB CO. (US) 2006-08-08 — — US disclosed
WO-2006077366-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 — — WO disclosed
EP-1397142-A4 PYRIMIDINE INHIBITORS OF PHOSPHODIESTERASE (PDE) 7 BRISTOL MYERS SQUIBB CO (US) 2004-11-03 — — EP disclosed
EP-1397142-A2 PYRIMIDINE INHIBITORS OF PHOSPHODIESTERASE (PDE) 7 Bristol-Myers Squibb Company (US) 2004-03-17 — — EP disclosed
US-20030162802-A1 Pyrimidine inhibitors of phosphodiesterase (PDE) 7 BRISTOL-MYERS SQUIBB COMPANY 2003-08-28 — — US disclosed
WO-2002102313-A2 PYRIMIDINE INHIBITORS OF PHOSPHODIESTERASE (PDE) 7 BRISTOL-MYERS SQUIBB COMPANY (US) 2002-12-27 — — 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 (4 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-20200172532-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HCCS, PYGL CA1 4666/4885CA2 4532/4885TDP1 1909/4885
US-20030162802-A1 Pyrimidine inhibitors of phosphodiesterase (PDE) 7 PDE7A, PDE7B, PDE3A CA1 3569/4885CA2 2429/4885TDP1 19/4885
US-10953012-B2 Heterocyclic compounds for the inhibition of pask PASK, PDXK, PANK2 CA1 4318/4885CA2 3112/4885TDP1 2483/4885
US-20090076004-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, AREG CA1 3986/4885CA2 3328/4885TDP1 1742/4885

“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.