Sugi Predict

Sugi Predict / Compounds / SCHEMBL2821588

SCHEMBL2821588

SCHEMBL2821588

CCOC(=O)C(=O)C(=O)CC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SOAT1 P35610 1/20 0.48
▸ ALDH1A1 P00352 5/20 0.46
▸ LMNA P02545 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ GLO1 Q04760 1/20 0.43
▸ ALOX15 P16050 1/20 0.42
▸ MGAM O43451 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ SI P14410 1/20 0.42
▸ MGAM2 Q2M2H8 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ EGLN1 Q9GZT9 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ TRPA1 O75762 1/20 0.39
▸ CYP2D6 P10635 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ FAAH O00519 2/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
Water SCHEMBL27569536 0.97 SOAT1 (0.46) SOAT1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL113371 0.83 — —
SCHEMBL247694 0.83 ALDH1A1 (0.56) SOAT1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL1418707 0.83 ALDH1A1 (0.56) SOAT1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL31238536 0.81 SOAT1 (0.50) SOAT1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL18979198 0.80 ALDH1A1 (0.53) SOAT1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL29896398 0.80 ALDH1A1 (0.53) SOAT1ALDH1A1LMNAHSD17B10NPSR1
Water SCHEMBL1097795 0.80 ALDH1A1 (0.53) SOAT1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL8630186 0.80 ALDH1A1 (0.52) SOAT1ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL3840637 0.80 CES2 (0.50) SOAT1ALDH1A1LMNAHSD17B10NPSR1

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
CN-105408335-A Pyrazolopyrrolidine derivatives and their use in the treatment of disease NOVARTIS AG 2016-03-16 — — CN disclosed
CN-103483260-A 1-aryl-5-alkylpyrazole derivative compounds, methods of making and methods of use thereof AVENTIS AGRICULTURE 2014-01-01 — — CN disclosed
CN-101511795-B 1-aryl-5-alkylpyrazole derivative compounds, methods of making and methods of use thereof AVENTIS AGRICULTURE 2013-09-18 — — CN disclosed
CN-101379022-B Benzamide and heteroarene derivatives HOFFMANN LA ROCHE 2013-05-01 — — CN disclosed
CN-1938309-B CRF receptor antagonists and methods relating thereto SMITHKLINE BEECHAM CORK LTD 2011-11-09 — — CN disclosed
US-20100256165-A1 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER HONGU MITSUYA 2010-10-07 — — US disclosed
US-7759373-B2 Large conductance calcium-activated K channel opener MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-20 — — US disclosed
CN-101622244-A Compounds and compositions as protein kinase inhibitors IRM LLC 2010-01-06 — — CN disclosed
CN-100540538-C High Conductivity Calcium-Activated K Channel Opener TANABE SEIYAKU CO (JP) 2009-09-16 — — CN disclosed
CN-101519386-A High Conductivity Calcium-Activated K Channel Opener TANABE SEIYAKU CO (JP) 2009-09-02 — — CN disclosed
CN-100386329-C Substituted 3-amino-thieno(2,3-b)pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses BOEHRINGER INGELHEIM PHARMA (US) 2008-05-07 — — CN disclosed
CN-100340559-C Nitrogen containing heterobicycles as factor XA inhibitors DU PONT PHARM CO (US) 2007-10-03 — — CN disclosed
CN-101023063-A Azine-carboxamides as anti-cancer agents ASTRAZENECA AB (SE) 2007-08-22 — — CN disclosed
US-20040127527-A1 Large conductance calcium-activated k channel opener MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-07-01 — — US disclosed
EP-1432690-A2 IMIDAZOLE, THIAZOLE AND OXAZOLE DERIVATIVES AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT AND/OR PREVENTION OF POLLAKIURIA OR URINARY INCONTINENCE Tanabe Seiyaku Co., Ltd. (JP) 2004-06-30 — — EP disclosed
CN-1503786-A High Conductivity Calcium-Activated K Channel Opener ������ҩ��ʽ���� 2004-06-09 — — CN disclosed
WO-2002083111-A2 IMIDAZOLE, THIAZOLE AND OXAZOLE DERIVATIVES AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT AND/OR PREVENTION OF POLLAKIURIA OR URINARY INCONTINENCE TANABE SEIYAKU CO., LTD. (JP) 2002-10-24 — — WO disclosed
WO-2002000651-A2 FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-01-03 — — WO disclosed
CN-1246847-A Nitrogen containing heteroaromatics as factor Xa inhibitors DU PONT MERCK PHARMA (US) 2000-03-08 — — CN disclosed
CN-1167486-A 2- (pyrazol-3-yl) carbapenem derivatives SMITHKLINE BEECHAM PLC (GB) 1997-12-10 — — 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 (2 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-20100256165-A1 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER KCNN3, KCNN2, KCNN1 SOAT1 3909/4885ALDH1A1 4600/4885LMNA 2021/4885
US-20040127527-A1 Large conductance calcium-activated k channel opener KCNN1, KCNN4, KCNN3 SOAT1 3376/4885ALDH1A1 4245/4885LMNA 2529/4885

“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.