SCHEMBL2575630

SCHEMBL2575630

CCC(=CC(=O)O)c1cccc(F)c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.50
CES1 P23141 3/20 0.50
BCHE P06276 1/20 0.50
HPGD P15428 1/20 0.41
ALB P02768 1/20 0.40
KAT6A Q92794 1/20 0.38
PTPN1 P18031 1/20 0.36
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
PDPK1 O15530 1/20 0.35
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 2/20 0.35
RIPK1 Q13546 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL2575629 1.00 CES2 (0.50) CES2CES1BCHEHPGDALB
SCHEMBL2575677 0.78 CES2 (0.55) CES2CES1BCHEHPGDALB
SCHEMBL2575679 0.78 CES2 (0.55) CES2CES1BCHEHPGDALB
SCHEMBL29119395 0.76 ALDH1A1 (0.52) HPGDALDH1A1KDM4EALOX15TDP1
SCHEMBL29119429 0.76 KDM4E (0.50) BCHEHPGDGAAALDH1A1KDM4E
SCHEMBL31599609 0.75 CES2 (0.61) CES2CES1BCHEHPGDALB
SCHEMBL633282 0.75 CES2 (0.61) CES2CES1BCHEHPGDALB
SCHEMBL2222958 0.75 MEN1 (0.46) HPGDITGB2ICAM1ITGALGAA
SCHEMBL7947843 0.75 HPGD (0.47) HPGDERCC5FEN1GAAALDH1A1
SCHEMBL9510857 0.73 HPGD (0.47) HPGDPDPK1ALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385047-B1 Piperidinyl-substituted isoquinolone derivatives SANOFI SA (FR) 2013-05-29 EP disclosed
EP-1910333-B1 PIPERIDINYL-SUBSTITUTED ISOQUINOLONE DERIVATIVES AS RHO-KINASE INHIBITORS SANOFI SA (FR) 2013-05-22 EP disclosed
US-8188117-B2 Piperidinyl-substituted isoquinolone derivatives SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
EP-2385047-A1 Piperidinyl-substituted isoquinolone derivatives SANOFI (FR) 2011-11-09 EP disclosed
US-20090093518-A1 Piperidinyl-substituted isoquinolone derivatives SANOFI-AVENTIS (FR) 2009-04-09 US 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-20090093518-A1 Piperidinyl-substituted isoquinolone derivatives MYLK2, MYLK, RHOT2 CES2 3840/4885CES1 2743/4885BCHE 3883/4885

“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.