SCHEMBL8288367

SCHEMBL8288367

Cc1ccc2c(c1)OCC(CO)O2

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.51
RAB9A P51151 1/20 0.44
GAA P10253 2/20 0.43
PRKAB2 O43741 2/20 0.42
PRKAG1 P54619 2/20 0.42
PRKAA2 P54646 2/20 0.42
PRKAA1 Q13131 2/20 0.42
PRKAG3 Q9UGI9 2/20 0.42
PRKAG2 Q9UGJ0 2/20 0.42
PRKAB1 Q9Y478 2/20 0.42
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.40
MTNR1A P48039 1/20 0.40

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
SCHEMBL1107087 1.00 CA2 (0.51) CA2RAB9AGAAPRKAB2PRKAG1
SCHEMBL1107090 1.00 CA2 (0.51) CA2RAB9AGAAPRKAB2PRKAG1
SCHEMBL29444746 0.93 CA2 (0.58) CA2RAB9AGAALMNATSHR
SCHEMBL29481813 0.93 CA2 (0.58) CA2RAB9AGAALMNATSHR
SCHEMBL6984007 0.93 CA2 (0.58) CA2RAB9AGAALMNATSHR
SCHEMBL6984001 0.93 CA2 (0.58) CA2RAB9AGAALMNATSHR
SCHEMBL9116625 0.83 CA2 (0.55) CA2RAB9AGAALMNA
SCHEMBL8596072 0.83 CA2 (0.51) CA2RAB9AGAALMNA
SCHEMBL28720094 0.81 FFAR1 (0.48) CA2RAB9APRKAB2PRKAG1PRKAA2
SCHEMBL11222928 0.81 CA2 (0.49) CA2RAB9AGAALMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9000018-B2 Thiazolidin-4-one-derivatives ACTELION PHARMACEUTICALS, LTD (CH) 2015-04-07 US disclosed
US-9000018-B2 Thiazolidin-4-one-derivatives ACTELION PHARMACEUTICALS, LTD (CH) 2015-04-07 US disclosed
US-RE45174-E1 Thiazolidin-4-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2014-09-30 US disclosed
US-RE45174-E1 Thiazolidin-4-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2014-09-30 US disclosed
US-20130310432-A1 NOVEL THIAZOLIDIN-4-ONE-DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-21 US disclosed
US-8524752-B2 Thiazolidin-4-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-03 US disclosed
US-8524752-B2 Thiazolidin-4-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-03 US disclosed
US-20120302612-A1 NOVEL THIAZOLIDIN-4-ONE DERIVATIVES VANDA PHARMACEUTICALS INC. 2012-11-29 US disclosed
US-20120302612-A1 NOVEL THIAZOLIDIN-4-ONE DERIVATIVES VANDA PHARMACEUTICALS INC. 2012-11-29 US disclosed
US-RE43833-E1 Thiazolidin-4-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-11-27 US disclosed
US-20070167469-A1 Pyrido-pyrimidine derivatives, preparation thereof, and therapeutic use thereof SANOFI-AVENTIS (FR) 2007-07-19 US disclosed
US-20070082933-A1 Novel thiazolidin-4-one derivatives ACTELION PHARMACEUTICALS, LTD. 2007-04-12 US disclosed
US-20070082933-A1 Novel thiazolidin-4-one derivatives ACTELION PHARMACEUTICALS, LTD. 2007-04-12 US disclosed
WO-2005054215-A1 5-(BENZ- (Z) -YLIDENE) -THIAZOLIDIN-4-ONE DERIVATIVES AS IMMUNOSUPPRESSANT AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2005-06-16 WO disclosed
EP-0565732-B1 BENZODIOXANE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 1998-01-14 EP disclosed
US-5480905-A ANTIDEPRESSANTS, ANXIOLYTIC AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1996-01-02 US disclosed
EP-0565732-A1 BENZODIOXANE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 1993-10-20 EP disclosed
US-4579845-A Antihypertensive cyanoguanidines BOUCHARA S.A. (FR) 1986-04-01 US disclosed
US-4539413-A Preparation of 3-amino-1-[(1,4-benzodioxan)-2-yl-methoxy]-2-propanols PIERRE FABRE S.A. (FR) 1985-09-03 US disclosed
US-4456614-A HYPOTENSIVE, AND ANTIARRHYTHMIA AGENT PIERRE FABRE S.A. (FR) 1984-06-26 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 (4 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-20070167469-A1 Pyrido-pyrimidine derivatives, preparation thereof, and therapeutic use thereof DPYD, PNPO, TYMP CA2 3655/4885RAB9A 1862/4885GAA 1429/4885
US-20130310432-A1 NOVEL THIAZOLIDIN-4-ONE-DERIVATIVES TLR4, IRF3, IL4 CA2 3349/4885RAB9A 4170/4885GAA 2065/4885
US-20070082933-A1 Novel thiazolidin-4-one derivatives TLR4, IL4, IRF3 CA2 3385/4885RAB9A 4261/4885GAA 1814/4885
US-20120302612-A1 NOVEL THIAZOLIDIN-4-ONE DERIVATIVES TLR4, IL4, IRF3 CA2 3385/4885RAB9A 4261/4885GAA 1814/4885

“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.