SCHEMBL2914589

SCHEMBL2914589

CCNc1nc(-n2cc(C(=O)O)c(=O)c3cc(F)c(F)c(C)c32)c(F)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.45
CYP3A4 P08684 2/20 0.45
TOP2A P11388 4/20 0.39
TOP2B Q02880 4/20 0.39
LMNA P02545 2/20 0.39
STAT3 P40763 1/20 0.39
ATP6V1B2 P21281 1/20 0.39
TBXA2R P21731 1/20 0.39
EDNRA P25101 1/20 0.39
TARBP2 Q15633 1/20 0.39
PIM1 P11309 3/20 0.38
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 4/20 0.38
POLB P06746 2/20 0.38
HSP90AA1 P07900 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TOP1 P11387 1/20 0.38
KCNH2 Q12809 1/20 0.36
HPGD P15428 4/20 0.36
HSD17B10 Q99714 4/20 0.36

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
SCHEMBL8168435 0.91 CYP2C9 (0.51) CYP2C9CYP3A4TOP2ATOP2BLMNA
SCHEMBL2917905 0.90 STAT3 (0.52) CYP2C9CYP3A4LMNASTAT3KDM4E
SCHEMBL2918401 0.89 CYP2C9 (0.47) CYP2C9CYP3A4TOP2ATOP2BLMNA
SCHEMBL2920517 0.83 CYP2C9 (0.63) CYP2C9CYP3A4TOP2ATOP2BLMNA
SCHEMBL2924849 0.82 CYP2C9 (0.48) CYP2C9CYP3A4TOP2ATOP2BLMNA
SCHEMBL7007826 0.81 CYP2C9 (0.50) CYP2C9CYP3A4TOP2ATOP2BLMNA
SCHEMBL2919782 0.81 STAT3 (0.51) CYP2C9CYP3A4LMNASTAT3KDM4E
SCHEMBL2912646 0.80 CYP2C9 (0.53) CYP2C9CYP3A4TOP2ATOP2BLMNA
SCHEMBL2921621 0.79 STAT3 (0.49) CYP2C9CYP3A4TOP2ATOP2BLMNA
SCHEMBL2918782 0.78 CYP2C9 (0.44) CYP2C9CYP3A4TOP2ATOP2BLMNA

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.