Sugi Predict

Sugi Predict / Compounds / SCHEMBL995358

SCHEMBL995358

SCHEMBL995358

CCOC=C(C(=O)OCC)C(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.58
▸ MAPT P10636 4/20 0.58
▸ MEN1 O00255 5/20 0.57
▸ KMT2A Q03164 5/20 0.57
▸ GAA P10253 2/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.47
▸ HSP90AA1 P07900 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ DHODH Q02127 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ PLIN1 O60240 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ PLIN5 Q00G26 1/20 0.46
▸ ABHD5 Q8WTS1 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CNR2 P34972 2/20 0.44
▸ NR1H4 Q96RI1 1/20 0.44
▸ CES2 O00748 1/20 0.43
▸ CES1 P23141 1/20 0.43

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
SCHEMBL995357 1.00 ALDH1A1 (0.58) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL5263495 1.00 ALDH1A1 (0.58) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL5286421 0.88 DHODH (0.51) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL5286417 0.88 DHODH (0.51) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL14581582 0.88 DHODH (0.51) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL2901221 0.85 CES2 (0.47) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL16050362 0.85 MAPT (0.63) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL2901225 0.85 CES2 (0.47) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL9280536 0.85 MAPT (0.63) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL10359660 0.84 CES2 (0.50) ALDH1A1MAPTMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109311818-A Novel pyridone carboxylic acid derivatives or its salt 湧永制药株式会社 2019-02-05 — — CN disclosed
US-8067447-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-29 — — US disclosed
US-8008306-B2 Quinoline compounds KOWA COMPANY, LTD. (JP) 2011-08-30 — — US disclosed
EP-2284157-A1 Quinolines useful in treating cardiovascular disease Wyeth (US) 2011-02-16 — — EP disclosed
EP-2272843-A1 QUINOLINE COMPOUND Kowa Company, Ltd. (JP) 2011-01-12 — — EP disclosed
US-20100076014-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-25 — — US disclosed
US-20100016327-A1 QUINOLINE COMPOUNDS KOWA COMPANY, LTD. (JP) 2010-01-21 — — US disclosed
EP-2094692-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1 AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF Brystol-Myers Squibb Company (US) 2009-09-02 — — EP disclosed
US-7576215-B2 Quinolines and pharmaceutical compositions thereof WYETH (US) 2009-08-18 — — US disclosed
WO-2008057856-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1 AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 — — WO disclosed
EP-0112617-B1 PROCESS FOR THE EXTRACTION OF METAL VALUES AND NOVEL METAL EXTRACTANTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-12-30 — — EP disclosed
EP-0201829-A1 1-Aryl-4-quinolone-3-carboxylic acids BAYER AG (DE) 1986-11-20 — — EP disclosed
US-4599334-A 7-(3-aryl-1-piperazinyl)- and 7-(3-cyclohexyl-1-piperazinyl)-3-quinolonecarboxylic acid antibacterials BAYER AKTIENGESELLSCHAFT (DE) 1986-07-08 — — US disclosed
US-4588726-A 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(3-oxo-1-piperazinyl)-3-quinolinecarboxylic acid antibacterial agents BAYER AKTIENGESELLSCHAFT (DE) 1986-05-13 — — US disclosed
US-4581220-A CURED RESIDUE OF ZIRCONIUM SOLUTION IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1986-04-08 — — US disclosed
US-4576815-A Process for the extraction of metal values and novel metal extractants IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1986-03-18 — — US disclosed
EP-0169993-A2 7-(3-Aryl-1-piperazinyl) and 7-(3-cyclohexyl-1-piperazinyl) 3-quinoline carboxylic acids BAYER AG (DE) 1986-02-05 — — EP disclosed
EP-0166939-A1 1-Cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7(3-oxo-1-piperazinyl)-3-quinoline-carboxylic acids, process for their preparation and bactericidal agents containing them BAYER AG (DE) 1986-01-08 — — EP disclosed
EP-0112617-A1 Process for the extraction of metal values and novel metal extractants IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-07-04 — — EP disclosed
US-3983128-A CNS DEPRESSANTS, ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1976-09-28 — — 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 (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-20100076014-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFRKB, NFKBIA, NFKB1 ALDH1A1 3430/4885MAPT 3994/4885MEN1 3710/4885
US-20100016327-A1 QUINOLINE COMPOUNDS NR1H2, NR1H3, LDLR ALDH1A1 3151/4885MAPT 804/4885MEN1 3490/4885

“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.