Sugi Predict

Sugi Predict / Compounds / SCHEMBL1174584

SCHEMBL1174584

SCHEMBL1174584

CCc1cc(C=O)cc(C)c1/C=C/C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ TTR P02766 2/20 0.40
▸ APP P05067 1/20 0.40
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA7 P43166 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ CA14 Q9ULX7 2/20 0.40
▸ TYR P14679 1/20 0.40
▸ PTPN1 P18031 1/20 0.38
▸ FDPS P14324 2/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ KMT2A Q03164 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MAPT P10636 3/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HTT P42858 1/20 0.37

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
SCHEMBL1174586 1.00 KDM4E (0.42) KDM4EALDH1A1TTRAPPCA12
SCHEMBL1854592 0.88 TTR (0.46) KDM4EALDH1A1TTRAPPCA12
SCHEMBL1854594 0.88 TTR (0.46) KDM4EALDH1A1TTRAPPCA12
SCHEMBL1174488 0.84 ALDH1A1 (0.41) KDM4EALDH1A1SMN1; SMN2AKR1C3CYP1A2
SCHEMBL1174487 0.84 ALDH1A1 (0.41) KDM4EALDH1A1SMN1; SMN2AKR1C3CYP1A2
SCHEMBL27697709 0.81 TTR (0.35) KDM4EALDH1A1TTRAPPCA12
SCHEMBL1249131 0.79 TTR (0.50) KDM4EALDH1A1TTRAPPCA12
SCHEMBL1249128 0.79 TTR (0.50) KDM4EALDH1A1TTRAPPCA12
SCHEMBL28754816 0.75 APP (0.58) KDM4EALDH1A1TTRAPPCA12
SCHEMBL16852824 0.75 APP (0.58) KDM4EALDH1A1TTRAPPCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1976512-B1 NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-09-30 — — EP disclosed
US-8410151-B2 Aminomethyl benzene derivatives ACTELION PHARMACEUTICALS LTD (CH) 2013-04-02 — — US disclosed
EP-2222667-B1 NOVEL THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 ACTELION PHARMACEUTICALS LTD (CH) 2013-02-20 — — EP disclosed
EP-2262782-B1 NOVEL AMINOMETHYL BENZENE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-07-04 — — EP disclosed
US-8148410-B2 Thiophene derivatives as agonists of S1P1/EDG1 ACTELION PHARMACEUTICALS LTD. (CH) 2012-04-03 — — US disclosed
US-8039644-B2 Hydrogenated benzo (C) thiophene derivatives as immunomodulators ACTELION PHARMACEUTICALS LTD. (CH) 2011-10-18 — — US disclosed
US-8003800-B2 Thiophene derivatives as S1P1/EDG1 receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-23 — — US disclosed
EP-1863787-B1 HYDOGRENATED BENZO[C]THIOPHENE DERIVATIVES AS IMMUNOMODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2011-05-25 — — EP disclosed
US-20110028449-A1 NOVEL AMINOMETHYL BENZENE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2011-02-03 — — US disclosed
EP-2262782-A1 NOVEL AMINOMETHYL BENZENE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-12-22 — — EP disclosed
WO-2009109904-A1 NOVEL AMINOMETHYL BENZENE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-09-11 — — WO disclosed
WO-2009074950-A2 THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 ACTELION PHARMACEUTICALS LTD (CH) 2009-06-18 — — WO disclosed
EP-1863474-B1 NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE-1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-11-12 — — EP disclosed
EP-1976512-A1 NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2008-10-08 — — EP disclosed
US-20080176926-A1 G protein-coupled receptor S1P1/EDG1 agonists; 3-(4-hydroxy-3,5-dimethyl-phenyl)-1-(3,5,5-trimethyl-4,5,6,7-tetrahydro-benzo[c]thiophen-1-yl)-propan-1-one; transplant rejection, graft-versus-host diseases, autoimmune syndromes; side effects reduction; immunosuppressive agents; Crohn's disease ACTELION PHARMACEUTICALS LTD. (CH) 2008-07-24 — — US disclosed
EP-1863474-A1 NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE-1 RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2007-12-12 — — EP disclosed
EP-1863787-A1 HYDOGRENATED BENZO[C]THIOPHENE DERIVATIVES AS IMMUNOMODULATORS Actelion Pharmaceuticals Ltd. (CH) 2007-12-12 — — EP disclosed
WO-2007080542-A1 NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2007-07-19 — — WO disclosed
WO-2006100631-A1 HYDROGENATED BENZO (C) THIOPHENE DERIVATIVES AS IMMUNOMODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2006-09-28 — — WO disclosed
WO-2006100633-A1 NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-l-PHOSPHATE-1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-09-28 — — 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-20110028449-A1 NOVEL AMINOMETHYL BENZENE DERIVATIVES CD47, BRD4, BRD3 KDM4E 310/4885ALDH1A1 984/4885TTR 4068/4885
US-20080176926-A1 G protein-coupled receptor S1P1/EDG1 agonists; 3-(4-hydroxy-3,5-dimethyl-phenyl)-1-(3,5,5-trimethyl-4,5,6,7-tetrahydro-benzo[c]thiophen-1-yl)-propan-1-one; transplant rejection, graft-versus-host diseases, autoimmune syndromes; side effects reduction; immunosuppressive agents; Crohn's disease S1PR1, S1PR3, S1PR5 KDM4E 1167/4885ALDH1A1 1893/4885TTR 2240/4885

“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.