SCHEMBL2918401

SCHEMBL2918401

CNc1nc(-n2cc(C(=O)O)c(=O)c3cc(F)c(F)c(C)c32)c(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.47
CYP3A4 P08684 2/20 0.47
TOP2A P11388 7/20 0.41
TOP2B Q02880 7/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.40
TOP1 P11387 2/20 0.40
HSP90AA1 P07900 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
LMNA P02545 2/20 0.37
XBP1 P17861 1/20 0.37
NFKB1 P19838 1/20 0.37
HTT P42858 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
ATP6V1B2 P21281 1/20 0.37
TBXA2R P21731 1/20 0.37

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
SCHEMBL2912646 0.91 CYP2C9 (0.53) CYP2C9CYP3A4TOP2ATOP2BKDM4E
SCHEMBL2914589 0.89 CYP2C9 (0.45) CYP2C9CYP3A4TOP2ATOP2BKDM4E
SCHEMBL2918782 0.89 CYP2C9 (0.44) CYP2C9CYP3A4TOP2ATOP2BKDM4E
SCHEMBL2919782 0.87 STAT3 (0.51) CYP2C9CYP3A4KDM4EALDH1A1HPGD
SCHEMBL2920517 0.85 CYP2C9 (0.63) CYP2C9CYP3A4TOP2ATOP2BKDM4E
SCHEMBL2922166 0.81 CYP3A4 (0.50) CYP2C9CYP3A4TOP2ATOP2BKDM4E
SCHEMBL2924480 0.80 CYP2C9 (0.51) CYP2C9CYP3A4TOP2ATOP2BKDM4E
SCHEMBL8168435 0.80 CYP2C9 (0.51) CYP2C9CYP3A4TOP2ATOP2BKDM4E
SCHEMBL2919185 0.80 STAT3 (0.49) CYP2C9CYP3A4KDM4EALDH1A1POLB
SCHEMBL7851033 0.79 CYP3A4 (0.78) CYP2C9CYP3A4TOP2ATOP2BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1813610-B1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF WAKUNAGA PHARMA CO LTD (JP) 2010-09-08 EP disclosed
US-7713997-B2 Pyridonecarboxylic acid derivatives or salts thereof WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2010-05-11 US disclosed
US-20090149440-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF WAKUNAGA PHARMACEUTICAL CO., LTD (JP) 2009-06-11 US disclosed
EP-1813610-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2007-08-01 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-20090149440-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF SLC7A1, PLPBP, PYCR1 CYP2C9 331/4885CYP3A4 863/4885TOP2A 3250/4885

“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.