Sugi Predict

Sugi Predict / Compounds / SCHEMBL1551569

SCHEMBL1551569

SCHEMBL1551569

CCC1(C(CS(=O)(=O)c2ccccc2)N[S+]([O-])C(C)(C)C)CCC2(CC1)OCCO2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.36
▸ ALDH1A1 P00352 7/20 0.34
▸ TSHR P16473 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ RECQL P46063 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MMP2 P08253 3/20 0.33
▸ MMP9 P14780 3/20 0.33
▸ MMP3 P08254 2/20 0.33
▸ MMP13 P45452 2/20 0.33
▸ ADAM17 P78536 2/20 0.33
▸ MMP17 Q9ULZ9 2/20 0.33
▸ MMP1 P03956 1/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32

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
SCHEMBL1550498 0.80 POLB (0.34) POLBALDH1A1TSHRL3MBTL1SMN1; SMN2
SCHEMBL4289424 0.76 POLB (0.43) POLBALDH1A1TSHRL3MBTL1RECQL
SCHEMBL1551216 0.76 — —
SCHEMBL1550521 0.72 — —
SCHEMBL1550539 0.68 — —
SCHEMBL4288384 0.66 POLB (0.41) POLBALDH1A1TSHRL3MBTL1RECQL
SCHEMBL16677934 0.64 OPRM1 (0.37) POLBALDH1A1L3MBTL1LMNAHTT
SCHEMBL12349049 0.61 — —
SCHEMBL24969137 0.60 POLB (0.51) POLBALDH1A1TSHRL3MBTL1RECQL
SCHEMBL31076349 0.60 HSD11B1 (0.34) ALDH1A1TSHRMMP9MMP13MMP1

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 10 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-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
US-8399482-B2 6-substituted isoquinolines and isoquinolinones SANOFI (FR) 2013-03-19 — — US disclosed
US-20110190339-A1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI-AVENTIS (FR) 2011-08-04 — — US disclosed
US-20110190339-A1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI-AVENTIS (FR) 2011-08-04 — — US disclosed
US-20110190339-A1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI-AVENTIS (FR) 2011-08-04 — — US disclosed
EP-2313374-A1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES Sanofi-Aventis (FR) 2011-04-27 — — EP 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 (2 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-20110190339-A1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES MYLK2, MYLK, MYLK3 POLB 1137/4885ALDH1A1 2573/4885TSHR 4595/4885
US-20130109715-A1 6-Substituted isoquinolines and isoquinolinones MYLK2, MYLK, MYLK3 POLB 1186/4885ALDH1A1 2500/4885TSHR 4168/4885

“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.