SCHEMBL4288384

SCHEMBL4288384

CCC1(C(N)C(F)S(=O)(=O)c2ccccc2)CCC2(CC1)OCCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.41
ALDH1A1 P00352 6/20 0.36
L3MBTL1 Q9Y468 4/20 0.36
TSHR P16473 2/20 0.36
RECQL P46063 1/20 0.34
ESR2 Q92731 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 2/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TP53 P04637 1/20 0.33
KDM4E B2RXH2 3/20 0.32
LMNA P02545 2/20 0.31
MAPK1 P28482 1/20 0.31
MMP2 P08253 1/20 0.31

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
SCHEMBL4289424 0.78 POLB (0.43) POLBALDH1A1L3MBTL1TSHRRECQL
SCHEMBL1550498 0.77 POLB (0.34) POLBALDH1A1L3MBTL1TSHRSMN1; SMN2
SCHEMBL4288380 0.67 POLB (0.39) POLBALDH1A1L3MBTL1TSHRRECQL
SCHEMBL1551569 0.66 POLB (0.36) POLBALDH1A1L3MBTL1TSHRRECQL
SCHEMBL4282696 0.64
SCHEMBL15564112 0.62 POLB (0.50) POLBALDH1A1L3MBTL1TSHRRECQL
SCHEMBL3570981 0.62 CSNK1E (0.40) ALDH1A1L3MBTL1TSHRGAATP53
SCHEMBL28357925 0.61 PSIP1 (0.44) ALDH1A1TDP1SMN1; SMN2GAAMAPT
SCHEMBL27640243 0.61 CA1 (0.48) ALDH1A1TSHRTDP1SMN1; SMN2GAA
SCHEMBL4293275 0.60

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-2313374-B1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI SA (FR) 2013-09-18 EP disclosed
US-20130109715-A1 6-Substituted isoquinolines and isoquinolinones SANOFI (FR) 2013-05-02 US disclosed
US-8399482-B2 6-substituted isoquinolines and isoquinolinones SANOFI (FR) 2013-03-19 US disclosed
WO-2009156099-A1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI-AVENTIS (FR) 2009-12-30 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-20130109715-A1 6-Substituted isoquinolines and isoquinolinones MYLK2, MYLK, MYLK3 POLB 1186/4885ALDH1A1 2500/4885L3MBTL1 2373/4885

“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.