SCHEMBL7796110

SCHEMBL7796110

CCOC(=O)C(=CNC1CC1)C(=O)c1cc(F)c(F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 5/20 0.38
DHODH Q02127 3/20 0.37
TDP1 Q9NUW8 1/20 0.36
CYP2D6 P10635 2/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 1/20 0.35
ROCK2 O75116 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.34

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
SCHEMBL9561752 1.00 MAPT (0.38) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL10890329 1.00 MAPT (0.38) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL10924490 0.93 MEN1 (0.38) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL9720443 0.91 KDM4E (0.36) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL9720468 0.91 KDM4E (0.36) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL9720446 0.91 KDM4E (0.36) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL10592860 0.89 GAA (0.48) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL9492350 0.89 GAA (0.48) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL5256942 0.89 GAA (0.48) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL9490077 0.88 HPGD (0.38) GAASMN1; SMN2HPGDROCK2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080167270-A1 ANTI-INFECTIVE PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2008-07-10 US disclosed
US-7300924-B2 Anti-infective phosphonate analogs GILEAD SCIENCES, INC. (US) 2007-11-27 US disclosed
EP-1160241-A2 Process for the preparation of quinolon-3-carboxylic acids CPC Cellular Process Chemistry Systems GmbH (DE) 2001-12-05 EP disclosed
EP-0457090-B1 Process for the preparation of 3-amino-2 (het)aroyl-acrylic acid derivatives BAYER AG (DE) 1995-11-29 EP disclosed
US-5182401-A Bactericide intermediate BAYER AKTIENGESELLSCHAFT (DE) 1993-01-26 US disclosed
EP-0457090-A2 Process for the preparation of 3-amino-2 (het)aroyl-acrylic acid derivatives BAYER AG (DE) 1991-11-21 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20080167270-A1 ANTI-INFECTIVE PHOSPHONATE ANALOGS PHOSPHO1, PGLS, PSPH MAPT 4181/4885MEN1 2830/4885KMT2A 4641/4885

“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.