SCHEMBL557586

SCHEMBL557586

CCCn1c(C=O)c(-c2ccc(F)cc2)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.51
KDM4E B2RXH2 4/20 0.50
GAA P10253 1/20 0.50
LMNA P02545 2/20 0.45
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP2C9 P11712 4/20 0.41
SIRT6 Q8N6T7 2/20 0.41
ABCC3 O15438 1/20 0.41
ABCB11 O95342 1/20 0.41
HMGCR P04035 1/20 0.41
PGR P06401 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
RXRA P19793 1/20 0.41
TBXA2R P21731 1/20 0.41
CCKAR P32238 1/20 0.41
ADRA1A P35348 1/20 0.41
PTGS2 P35354 1/20 0.41
NR4A2 P43354 1/20 0.41

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
SCHEMBL31517747 0.88 MAPK14 (0.47) MAPK14KDM4EGAALMNAALDH1A1
SCHEMBL9302124 0.82 L3MBTL1 (0.59) MAPK14LMNAALDH1A1L3MBTL1TDP1
SCHEMBL31517655 0.77 MAPK14 (0.55) MAPK14KDM4ELMNAALDH1A1L3MBTL1
SCHEMBL246148 0.76 CYP2C9 (0.58) MAPK14KDM4ELMNAALDH1A1L3MBTL1
SCHEMBL6270540 0.74 HMGCR (0.74) KDM4ELMNAALDH1A1CYP2C9SIRT6
SCHEMBL31517659 0.74 CYP2C9 (0.75) KDM4ELMNAALDH1A1CYP2C9SIRT6
SCHEMBL1786783 0.74 CYP2C9 (0.75) KDM4ELMNAALDH1A1CYP2C9SIRT6
SCHEMBL31517681 0.74 CYP2C9 (0.75) KDM4ELMNAALDH1A1CYP2C9SIRT6
SCHEMBL27968969 0.70 MAPK14 (0.42) MAPK14KDM4ELMNAALDH1A1TDP1
SCHEMBL13302243 0.69 HMGCR (0.60) MAPK14KDM4ELMNAALDH1A1CYP2C9

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-2419407-B1 IMPROVED PROCESS FOR THE PREPARATION OF FLUVASTATIN AND SALTS THEREOF PHARMATHEN SA (GR) 2012-11-14 EP disclosed
EP-2419407-A1 IMPROVED PROCESS FOR THE PREPARATION OF FLUVASTATIN AND SALTS THEREOF Pharmathen S.A. (GR) 2012-02-22 EP disclosed
US-20120035374-A1 PROCESS FOR THE PREPARATION OF FLUVASTATIN AND SALTS THEREOF PHARMATHEN S.A. (GR) 2012-02-09 US disclosed
WO-2010118757-A1 IMPROVED PROCESS FOR THE PREPARATION OF FLUVASTATIN AND SALTS THEREOF PHARMATHEN S.A. (GR) 2010-10-21 WO 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-20120035374-A1 PROCESS FOR THE PREPARATION OF FLUVASTATIN AND SALTS THEREOF HMGCR, CETP, PCSK9 MAPK14 1243/4885KDM4E 3685/4885GAA 252/4885

“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.