SCHEMBL4713900

SCHEMBL4713900

C[C@H](c1ccccc1)N1C[C@H](CC2(NC(=O)OC(C)(C)C)CCC2)CC1=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.40
CTSK P43235 3/20 0.35
CCR5 P51681 1/20 0.35
PPIA P62937 1/20 0.35
CTSS P25774 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
UTS2R Q9UKP6 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 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
SCHEMBL4713895 1.00 KMT2A (0.47) KMT2AMAPK1CTSKCCR5PPIA
SCHEMBL7177436 0.83 LMNA (0.43) KMT2ACTSKCCR5PPIAL3MBTL1
SCHEMBL4718048 0.83 LMNA (0.43) KMT2ACTSKCCR5PPIAL3MBTL1
SCHEMBL2082300 0.79 KMT2A (0.51) KMT2AMAPK1CTSKCTSSDPP8
SCHEMBL2082301 0.79 KMT2A (0.51) KMT2AMAPK1CTSKCTSSDPP8
SCHEMBL4712485 0.78 LMNA (0.45) CTSKCCR5PPIAUTS2RLMNA
SCHEMBL6167072 0.76 ALDH1A1 (0.44) KMT2AMAPK1L3MBTL1LMNAHPGD
SCHEMBL8329075 0.75 KMT2A (0.54) KMT2AMAPK1CTSKCTSS
SCHEMBL8330225 0.75 KMT2A (0.54) KMT2AMAPK1CTSKCTSS
SCHEMBL8331694 0.75 KMT2A (0.54) KMT2AMAPK1CTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1262477-B1 ANTI-ACID-FAST BACTERIAL AGENTS CONTAINING PYRIDONECARBOXYLIC ACIDS AS THE ACTIVE INGREDIENT DAIICHI SANKYO CO LTD (JP) 2008-09-03 EP disclosed
US-7176313-B2 Anti acid-fast bacterial agent containing pyridonecarboxylic acids as active ingredient DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-13 US disclosed
EP-1134219-B1 CYCLOALKYL-SUBSTITUTED AMINOMETHYLPYRROLIDINE DERIVATIVES DAIICHI SEIYAKU CO (JP) 2005-06-15 EP disclosed
US-6825353-B2 AN AMINE SUBSTITUENT AT THE 7-POSITION OF THE QUINOLONE-CARBOXYLIC ACID DERIVATIVE IS PRODUCED; BACTERICIDES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-30 US disclosed
US-20030119848-A1 Anti acid-fast bacterial agent containing pyridonecarboxylic acids as active ingredient DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-06-26 US disclosed
US-6573260-B1 Antibiotics DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-06-03 US disclosed
US-20030060631-A1 Process for producing quinolonecarboxlic acids and intermediates thereof DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-03-27 US disclosed
EP-1262477-A1 ANTI-ACID-FAST BACTERIAL AGENTS CONTAINING PYRIDONECARBOXYLIC ACIDS AS THE ACTIVE INGREDIENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-12-04 EP disclosed
EP-1258478-A1 PROCESS FOR PRODUCING QUINOLONECARBOXYLIC ACIDS AND INTERMEDIATES THEREOF DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-11-20 EP disclosed
EP-1134219-A1 CYCLOALKYL-SUBSTITUTED AMINOMETHYLPYRROLIDINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-09-19 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 (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-20030119848-A1 Anti acid-fast bacterial agent containing pyridonecarboxylic acids as active ingredient PGD, PPA1, FASTKD1 KMT2A 4178/4885MAPK1 365/4885CTSK 1792/4885
US-20030060631-A1 Process for producing quinolonecarboxlic acids and intermediates thereof NQO2, QPCT, QARS1 KMT2A 2429/4885MAPK1 2580/4885CTSK 1421/4885

“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.