Sugi Predict

Sugi Predict / Compounds / SCHEMBL1854592

SCHEMBL1854592

SCHEMBL1854592

COC(=O)/C=C/c1c(C)cc(C=O)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.46
▸ APP P05067 1/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ TYR P14679 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ CA14 Q9ULX7 1/20 0.46
▸ ALDH1A1 P00352 6/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ PTPN1 P18031 1/20 0.44
▸ EPHX2 P34913 1/20 0.43
▸ MAPT P10636 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41

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
SCHEMBL1854594 1.00 TTR (0.46) TTRAPPCA12CA1CA2
SCHEMBL1174586 0.88 KDM4E (0.42) TTRAPPCA12CA1CA2
SCHEMBL1174584 0.88 KDM4E (0.42) TTRAPPCA12CA1CA2
SCHEMBL1249131 0.86 TTR (0.50) TTRAPPCA12CA1CA2
SCHEMBL1249128 0.86 TTR (0.50) TTRAPPCA12CA1CA2
SCHEMBL12912589 0.84 ABCB1 (0.53) TTRAPPCA12CA1CA2
SCHEMBL150675 0.81 EPHX2 (0.56) TTRAPPCA12CA1CA2
SCHEMBL150676 0.81 EPHX2 (0.56) TTRAPPCA12CA1CA2
SCHEMBL30970368 0.81 ABCG2 (0.45) TTRAPPCA12CA1CA2
SCHEMBL1858285 0.80 ALDH1A1 (0.47) TTRAPPCA12CA1CA2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039644-B2 Hydrogenated benzo (C) thiophene derivatives as immunomodulators ACTELION PHARMACEUTICALS LTD. (CH) 2011-10-18 — — US disclosed
EP-1863475-B1 NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE-1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-09-07 — — EP disclosed
US-7981924-B2 Thiophene derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2011-07-19 — — US disclosed
EP-1863787-B1 HYDOGRENATED BENZO[C]THIOPHENE DERIVATIVES AS IMMUNOMODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2011-05-25 — — EP disclosed
US-7846964-B2 Thiophene derivatives as spingosine-1-phosphate-1 receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2010-12-07 — — US disclosed
US-20100204198-A1 HYDROGENATED BENZO (C) THIOPHENE DERIVATIVES AS IMMUNOMODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2010-08-12 — — US disclosed
US-7723378-B2 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) 2010-05-25 — — US disclosed
US-20080300294-A1 Novel Thiophene Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-12-04 — — US disclosed
US-20080194670-A1 Novel Thiophene Derivatives as Spingosine-1-Phosphate-1 Receptor Agonists ACTELION PHARMACEUTICALS LTD. (CH) 2008-08-14 — — US disclosed
EP-1954688-A1 NOVEL THIOPHENE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-08-13 — — 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-1863475-A2 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-2007060626-A1 NOVEL THIOPHENE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2007-05-31 — — WO disclosed
WO-2006100631-A1 HYDROGENATED BENZO (C) THIOPHENE DERIVATIVES AS IMMUNOMODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2006-09-28 — — WO disclosed
WO-2006100635-A2 NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-1-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 (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-20100204198-A1 HYDROGENATED BENZO (C) THIOPHENE DERIVATIVES AS IMMUNOMODULATORS NFATC1, ICOS, TPMT TTR 1556/4885APP 4815/4885CA12 2525/4885
US-20080300294-A1 Novel Thiophene Derivatives TPMT, TSLP, NFATC1 TTR 392/4885APP 4355/4885CA12 4400/4885
US-20080194670-A1 Novel Thiophene Derivatives as Spingosine-1-Phosphate-1 Receptor Agonists GRK2, GRK4, GPR174 TTR 2903/4885APP 3926/4885CA12 4845/4885
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 TTR 2240/4885APP 2796/4885CA12 4856/4885

“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.