Sugi Predict

Sugi Predict / Compounds / SCHEMBL584806

SCHEMBL584806

SCHEMBL584806

Cc1ccc(/C=C/C(=O)O)cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR183 P32249 1/20 0.53
▸ KDM4E B2RXH2 7/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ HSD17B10 Q99714 3/20 0.53
▸ MAPK1 P28482 3/20 0.53
▸ CA12 O43570 3/20 0.53
▸ CA1 P00915 3/20 0.53
▸ CA2 P00918 3/20 0.53
▸ CA3 P07451 3/20 0.53
▸ CA4 P22748 3/20 0.53
▸ CA6 P23280 3/20 0.53
▸ CA5A P35218 3/20 0.53
▸ CA7 P43166 3/20 0.53
▸ CA9 Q16790 3/20 0.53
▸ CA14 Q9ULX7 3/20 0.53
▸ CA5B Q9Y2D0 3/20 0.53
▸ HPGD P15428 2/20 0.53
▸ AKR1B10 O60218 2/20 0.53
▸ AKR1B1 P15121 2/20 0.53
▸ DPP4 P27487 2/20 0.53

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
SCHEMBL584807 1.00 GPR183 (0.53) GPR183KDM4EALDH1A1HSD17B10MAPK1
SCHEMBL5335769 0.86 IAPP (0.56) GPR183HDAC1HDAC6TDP1APP
SCHEMBL5335763 0.86 IAPP (0.56) GPR183HDAC1HDAC6TDP1APP
SCHEMBL1258295 0.86 KDM4E (0.53) KDM4EALDH1A1HSD17B10MAPK1CA12
SCHEMBL1258296 0.86 KDM4E (0.53) KDM4EALDH1A1HSD17B10MAPK1CA12
SCHEMBL13424353 0.85 KDM4E (0.45) GPR183KDM4EALDH1A1HSD17B10MAPK1
SCHEMBL407484 0.83 KDM4E (0.58) KDM4EALDH1A1HSD17B10MAPK1CA12
SCHEMBL111230 0.83 KDM4E (0.58) KDM4EALDH1A1HSD17B10MAPK1CA12
SCHEMBL407485 0.83 KDM4E (0.58) KDM4EALDH1A1HSD17B10MAPK1CA12
SCHEMBL29389045 0.83 KDM4E (0.58) KDM4EALDH1A1HSD17B10MAPK1CA12

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11685725-B2 YAP1 inhibitors that target the interaction of YAP1 with OCT4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2023-06-27 — — US disclosed
EP-2125745-B1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES SANOFI SA (FR) 2017-02-22 — — EP disclosed
EP-2102187-B1 SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES AS INHIBITORS OF RHO-KINASE SANOFI SA (FR) 2015-04-01 — — EP disclosed
US-8962607-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-02-24 — — US disclosed
US-8796458-B2 Cyclohexylamine isoquinolone derivatives SANOFI (FR) 2014-08-05 — — US disclosed
US-8742116-B2 Cycloalkylamine substituted isoquinolone derivatives SANOFI (FR) 2014-06-03 — — US disclosed
US-8741887-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-06-03 — — US disclosed
US-8722658-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-05-13 — — US disclosed
US-8710077-B2 Cycloalkylamine substituted isoquinoline and isoquinolinone derivatives SANOFI (FR) 2014-04-29 — — US disclosed
US-8623858-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-01-07 — — US disclosed
US-20090093518-A1 Piperidinyl-substituted isoquinolone derivatives SANOFI-AVENTIS (FR) 2009-04-09 — — US disclosed
US-20080242699-A1 Rho-kinase and/or Rho-kinase mediated phosphorylation of myosin light chain phosphatase inhibitors; Hypotensive agents; 6-(4-Amino-cyclohexyloxy)-2-(4-methoxy-benzyl)-7-propyl-2H-isoquinolin-1-one SANOFI-AVENTIS (FR) 2008-10-02 — — US disclosed
WO-2008077556-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 — — WO disclosed
WO-2008077550-A1 SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES AS INHIBITORS OF RHO-KINASE SANOFI-AVENTIS (FR) 2008-07-03 — — WO disclosed
WO-2008078291-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-07-03 — — WO disclosed
WO-2008077551-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 — — WO disclosed
EP-1912949-A1 CYCLOHEXYLAMIN ISOQUINOLONE DERIVATIVES AS RHO-KINASE INHIBITORS Sanofi-Aventis (FR) 2008-04-23 — — EP disclosed
EP-1910333-A1 PIPERIDINYL-SUBSTITUTED ISOQUINOLONE DERIVATIVES AS RHO-KINASE INHIBITORS Sanofi-Aventis (FR) 2008-04-16 — — EP disclosed
WO-2007012421-A1 PIPERIDINYL-SUBSTITUTED ISOQUINOLONE DERIVATIVES AS RHO-KINASE INHIBITORS SANOFI-AVENTIS (DE) 2007-02-01 — — WO disclosed
WO-2007012422-A1 CYCLOHEXYLAMIN ISOQUINOLONE DERIVATIVES AS RHO-KINASE INHIBITORS SANOFI-AVENTIS (DE) 2007-02-01 — — 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 (3 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-11685725-B2 YAP1 inhibitors that target the interaction of YAP1 with OCT4 YAP1, YES1, MYC GPR183 2804/4885KDM4E 586/4885ALDH1A1 3176/4885
US-20090093518-A1 Piperidinyl-substituted isoquinolone derivatives MYLK2, MYLK, RHOT2 GPR183 3190/4885KDM4E 2732/4885ALDH1A1 2308/4885
US-20080242699-A1 Rho-kinase and/or Rho-kinase mediated phosphorylation of myosin light chain phosphatase inhibitors; Hypotensive agents; 6-(4-Amino-cyclohexyloxy)-2-(4-methoxy-benzyl)-7-propyl-2H-isoquinolin-1-one MYLK, MYLK2, ROCK1 GPR183 3324/4885KDM4E 1891/4885ALDH1A1 3201/4885

“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.