SCHEMBL4289424

SCHEMBL4289424

CCC1(C(N)CS(=O)(=O)c2ccccc2)CCC2(CC1)OCCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.43
ALDH1A1 P00352 5/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
TSHR P16473 2/20 0.39
RECQL P46063 1/20 0.39
ESR2 Q92731 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PSIP1 O75475 1/20 0.38
MMP2 P08253 3/20 0.35
MMP9 P14780 3/20 0.35
MMP3 P08254 2/20 0.35
MMP13 P45452 2/20 0.35
ADAM17 P78536 2/20 0.35
MMP17 Q9ULZ9 2/20 0.35
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 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
SCHEMBL4288384 0.78 POLB (0.41) POLBALDH1A1L3MBTL1TSHRRECQL
SCHEMBL1551569 0.76 POLB (0.36) POLBALDH1A1L3MBTL1TSHRRECQL
SCHEMBL4282696 0.69
SCHEMBL24969137 0.67 POLB (0.51) POLBALDH1A1L3MBTL1TSHRRECQL
SCHEMBL3570981 0.66 CSNK1E (0.40) ALDH1A1L3MBTL1TSHRGAAKMT2A
SCHEMBL8909374 0.65 PSIP1 (0.56) POLBALDH1A1PSIP1MMP13SMN1; SMN2
SCHEMBL4280631 0.64
SCHEMBL4289420 0.63 ALDH1A1 (0.43) POLBALDH1A1L3MBTL1TSHRRECQL
SCHEMBL15564112 0.63 POLB (0.50) POLBALDH1A1L3MBTL1TSHRRECQL
SCHEMBL9172089 0.63 PSIP1 (0.48) POLBALDH1A1TSHRPSIP1GAA

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.