Sugi Predict

Sugi Predict / Compounds / SCHEMBL3514549

SCHEMBL3514549

SCHEMBL3514549

CCOC(=O)c1cc(S(=O)(=O)O)cnc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.42
▸ CA1 P00915 3/20 0.42
▸ CA2 P00918 3/20 0.42
▸ CA7 P43166 3/20 0.42
▸ CA9 Q16790 3/20 0.42
▸ CA14 Q9ULX7 3/20 0.42
▸ TSHR P16473 2/20 0.41
▸ KDM4E B2RXH2 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ JMJD6 Q6NYC1 1/20 0.40
▸ AURKA O14965 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ GAA P10253 1/20 0.39

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
SCHEMBL6855768 0.84 CASP1 (0.44) CA12CA1CA2CA9TSHR
SCHEMBL14598660 0.77 KDM4E (0.48) CA12CA1CA2CA7CA9
SCHEMBL13285403 0.77 ALDH1A1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL3579838 0.76 KDM4E (0.51) TSHRKDM4EALDH1A1KMT2AMEN1
SCHEMBL27816715 0.76 CA12 (0.64) CA12CA1CA2CA7CA9
SCHEMBL1863791 0.75 TSHR (0.55) CA12CA1CA2CA7CA9
SCHEMBL28948566 0.75 TSHR (0.55) CA12CA1CA2CA7CA9
SCHEMBL28766115 0.75 PHLPP2 (0.45) CA12CA1CA2CA7CA9
SCHEMBL1861731 0.74 TSHR (0.53) CA12CA1CA2CA7CA9
Potassium SCHEMBL1861735 0.74 TSHR (0.53) CA12CA1CA2CA7CA9

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
US-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK SHARP & DOHME CORP. 2010-03-04 — — US disclosed
US-20100035891-A1 Pharmaceutically Active Compounds PFIZER INC 2010-02-11 — — US disclosed
EP-2044068-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS Merck & Co., Inc. (US) 2009-04-08 — — EP disclosed
WO-2008010964-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK & CO., INC. (US) 2008-01-24 — — WO disclosed
WO-2008010964-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK & CO., INC. (US) 2008-01-24 — — WO disclosed
US-7176311-B2 Process for preparing pharmaceutically active compounds PFIZER INC. (US) 2007-02-13 — — US disclosed
US-20060293347-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS PFIZER INC 2006-12-28 — — US disclosed
US-7067660-B2 such as 1-(4-ethoxy-3-formylphenylsulfonyl)-4-methylpiperazine; for use as anti-impotence agent PFIZER INC. (US) 2006-06-27 — — US disclosed
US-7005520-B2 Process for the preparation of pyrazolopyrimidinones PFIZER INC. (US) 2006-02-28 — — US disclosed
US-20050107412-A1 Pharmaceutically active compounds PFIZER INC 2005-05-19 — — US disclosed
US-20020040140-A1 For therapy of male erectile dysfunction PFIZER INC. 2002-04-04 — — US disclosed
US-6350751-B1 ANHYDROUS PARA-TOLUENESULPHONIC ACID SALTS OF 3-ETHYL-5-(5-(4-ETHYL PIPERAZIN-1-YLSULPHONYL)-2-(2-METHOXYETHOXY) PYRIDIN-3-YL)-2-(PYRIDIN-2-YL)METHYL-2,6-DIHYDRO-7H-PYRAZOLO PFIZER INC. 2002-02-26 — — US disclosed
WO-2002010171-A1 CRYSTALLINE THERAPEUTIC AGENT PFIZER LIMITED (GB) 2002-02-07 — — WO disclosed
US-20020013464-A1 Novel process for the preparation of pyrazolopyrimidinones PFIZER INC. 2002-01-31 — — US disclosed
US-20020013465-A1 Novel process for the preparation of pyrazolopyrimidinones PFIZER INC. 2002-01-31 — — US disclosed
WO-2001098284-A1 PROCESS FOR THE PREPARATION OF PYRAZOLOPYRIMIDINONES PFIZER LIMITED (GB) 2001-12-27 — — WO disclosed
WO-2001098303-A1 NOVEL PROCESS FOR THE PREPARATION OF PYRAZOLOPYRIMIDINONES PFIZER LIMITED (GB) 2001-12-27 — — WO disclosed
WO-2001027101-A2 ANHYDROUS SALT PFIZER LIMITED (GB) 2001-04-19 — — WO disclosed
WO-2001027113-A2 PYRAZOLO `4,3-d! PYRIMIDINE DERIVATIVES PFIZER LIMITED (GB) 2001-04-19 — — WO disclosed
EP-1092720-A2 Process for the preparation of pyrazolo [4,3-d] pyrimidin-7-ones-3-pyridylsulphonyl compounds and intermediates thereof Pfizer Limited (GB) 2001-04-18 — — EP 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 (7 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-20050107412-A1 Pharmaceutically active compounds PDE5A, PDE2A, PDE3B CA12 4045/4885CA1 3939/4885CA2 2225/4885
US-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS RNASEH1, RNASE1, RNASEL CA12 4879/4885CA1 4836/4885CA2 4667/4885
US-20100035891-A1 Pharmaceutically Active Compounds PDE5A, PDE3A, PDE3B CA12 4706/4885CA1 4559/4885CA2 2837/4885
US-20060293347-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS PDE5A, PDE3A, PDE3B CA12 4706/4885CA1 4559/4885CA2 2837/4885
US-20020013465-A1 Novel process for the preparation of pyrazolopyrimidinones SDHA, NDUFS3, NDUFS2 CA12 3844/4885CA1 3597/4885CA2 3187/4885
US-20020013464-A1 Novel process for the preparation of pyrazolopyrimidinones CYP4F3, CYP3A4, NDUFS3 CA12 4602/4885CA1 4338/4885CA2 3772/4885
US-20020040140-A1 For therapy of male erectile dysfunction PDE3A, PDE5A, PDE3B CA12 4857/4885CA1 4872/4885CA2 4694/4885

“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.