Sugi Predict

Sugi Predict / Compounds / SCHEMBL7054034

SCHEMBL7054034

SCHEMBL7054034

CCO/C=C(\C(=O)OCC)C(=O)c1cc(F)c(F)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ NPSR1 Q6W5P4 5/20 0.41
▸ MAPT P10636 4/20 0.41
▸ LMNA P02545 3/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ GLO1 Q04760 1/20 0.36
▸ S1PR4 O95977 1/20 0.35
▸ S1PR1 P21453 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ DHODH Q02127 2/20 0.35
▸ GAA P10253 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ STAT3 P40763 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ PLIN1 O60240 1/20 0.33
▸ POLB P06746 1/20 0.33

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
SCHEMBL7176844 1.00 MEN1 (0.41) MEN1KMT2ANPSR1MAPTLMNA
SCHEMBL29733864 1.00 MEN1 (0.41) MEN1KMT2ANPSR1MAPTLMNA
SCHEMBL5528820 1.00 MEN1 (0.41) MEN1KMT2ANPSR1MAPTLMNA
SCHEMBL7010288 0.90 MAPT (0.40) MEN1KMT2ANPSR1MAPTLMNA
SCHEMBL9678091 0.90 MAPT (0.40) MEN1KMT2ANPSR1MAPTLMNA
SCHEMBL7010284 0.90 MAPT (0.40) MEN1KMT2ANPSR1MAPTLMNA
SCHEMBL5525144 0.88 NPSR1 (0.39) MEN1KMT2ANPSR1MAPTLMNA
SCHEMBL2924713 0.88 MAPT (0.39) MEN1KMT2ANPSR1MAPTLMNA
SCHEMBL9096775 0.88 MAPT (0.39) MEN1KMT2ANPSR1MAPTLMNA
SCHEMBL29733801 0.88 NPSR1 (0.39) MEN1KMT2ANPSR1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0126355-B1 7-AMINO-1-CYCLOPROPYL-6,8-DIFLUORO-1,4-DIHYDRO-4-OXO-3-QUINOLINE-CARBOXYLIC ACID, PROCESSES FOR THEIR PREPARATION AND ANTIBACTERIAL AGENTS CONTAINING THEM BAYER AG (DE) 1987-09-09 — — EP claimed
CN-117903163-A Fluoroquinolone compound with spiro structure at C7 position and application thereof 广东工业大学 2024-04-19 — — CN disclosed
EP-2203459-B1 SPIROCYCLIC AMINOQUINOLONES AS GSK-3 INHIBITORS KYORIN SEIYAKU KK (JP) 2016-03-16 — — EP disclosed
US-8901112-B2 Spirocyclic aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2014-12-02 — — US disclosed
US-8901112-B2 Spirocyclic aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2014-12-02 — — US disclosed
US-8476261-B2 Spirocyclic aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 — — US disclosed
US-8476261-B2 Spirocyclic aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 — — US disclosed
EP-1401829-B1 NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS MICROBIOTIX INC (US) 2012-08-22 — — EP disclosed
US-20110034436-A1 SPIROCYCLIC AMINOQUINOLNES AS GSK-3 INHIBITORS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-02-10 — — US disclosed
US-20110034436-A1 SPIROCYCLIC AMINOQUINOLNES AS GSK-3 INHIBITORS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-02-10 — — US disclosed
US-6777420-B2 A URACIL COMPOUNDS AS ENZYME INHIBITORS, INHIBIT BACTERIAL DNA POLYMERASE, TREATING BACTERIAL DISEASES MICROBIOTIX, INC. 2004-08-17 — — US disclosed
US-20030181719-A1 Novel heterocyclic antibacterial compounds MICROBIOTIX, INC. 2003-09-25 — — US disclosed
US-4952695-A Cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinoline carboxylic acid, intermediate for antibacterials BAYER AKTIENGESELLSCHAFT (DE) 1990-08-28 — — US disclosed
US-4755513-A Antimicrobial 1-substituted phenyl-4-oxoquinoline-3-carboxylic acid compounds OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1988-07-05 — — US disclosed
US-4753925-A Antibacterial 1,7-diamino-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 1988-06-28 — — US disclosed
US-4684648-A Antimicrobial 1-substituted phenyl-4-oxoquinoline-3-carboxylic acid compounds and compositions thereof OTSUKA PHARMACEUTICAL COMPANY LIMITED (JP) 1987-08-04 — — US 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
EP-0181521-A1 Antimicrobial 1-substituted Phenyl-4-oxoquinoline-3-carboxylic acid compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-21 — — EP 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-4556658-A 7-Amino-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-quinoline-3-carboxylic acids and antibacterial agents containing these compounds BAYER AKTIENGESELLSCHAFT (DE) 1985-12-03 — — 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-20110034436-A1 SPIROCYCLIC AMINOQUINOLNES AS GSK-3 INHIBITORS GSK3A, GSK3B, GSKIP MEN1 3597/4885KMT2A 1273/4885NPSR1 2618/4885
US-20030181719-A1 Novel heterocyclic antibacterial compounds TOP1, TOP2A, TOP2B MEN1 4240/4885KMT2A 2259/4885NPSR1 4813/4885

“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.