SCHEMBL1860995

SCHEMBL1860995

CCC1(CC)CCc2c(csc2C(=O)O)C1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.32
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 2/20 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
SCHEMBL1858886 0.88 TP53 (0.33) TP53HPGDKDM4ENPC1LMNA
SCHEMBL1854014 0.81 S1PR1 (0.37) TP53HPGDKDM4ENPC1LMNA
SCHEMBL1856215 0.78 TP53 (0.36) TP53HPGDKDM4ENPC1LMNA
SCHEMBL23334281 0.77 TP53 (0.36) TP53HPGDKDM4ENPC1LMNA
SCHEMBL1860795 0.76 S1PR1 (0.56) S1PR1S1PR3
SCHEMBL1857150 0.76 TP53 (0.38) TP53HPGDKDM4ENPC1LMNA
SCHEMBL23334742 0.72 CES1 (0.38) TP53HPGDKDM4ENPC1LMNA
SCHEMBL2747393 0.72 S1PR1 (0.41) KDM4ES1PR1S1PR3
SCHEMBL23334740 0.71 L3MBTL1 (0.34) TP53HPGDKDM4ENPC1LMNA
SCHEMBL2747390 0.71 S1PR1 (0.48) S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8697732-B2 Pyridine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2014-04-15 US disclosed
US-20120195930-A1 NOVEL PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2012-08-02 US disclosed
US-8178562-B2 Pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2012-05-15 US disclosed
US-8039644-B2 Hydrogenated benzo (C) thiophene derivatives as immunomodulators ACTELION PHARMACEUTICALS LTD. (CH) 2011-10-18 US disclosed
US-8039644-B2 Hydrogenated benzo (C) thiophene derivatives as immunomodulators ACTELION PHARMACEUTICALS LTD. (CH) 2011-10-18 US disclosed
US-8039644-B2 Hydrogenated benzo (C) thiophene derivatives as immunomodulators ACTELION PHARMACEUTICALS LTD. (CH) 2011-10-18 US disclosed
EP-1863787-B1 HYDOGRENATED BENZO[C]THIOPHENE DERIVATIVES AS IMMUNOMODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2011-05-25 EP disclosed
EP-1863787-B1 HYDOGRENATED BENZO[C]THIOPHENE DERIVATIVES AS IMMUNOMODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2011-05-25 EP disclosed
US-20100204198-A1 HYDROGENATED BENZO (C) THIOPHENE DERIVATIVES AS IMMUNOMODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2010-08-12 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-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
EP-1979345-B1 NOVEL PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-11-04 EP disclosed
US-20090005421-A1 Novel Pyridine Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2009-01-01 US disclosed
EP-1979345-A2 NOVEL PYRIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-10-15 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
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-1863787-A1 HYDOGRENATED BENZO[C]THIOPHENE DERIVATIVES AS IMMUNOMODULATORS Actelion Pharmaceuticals Ltd. (CH) 2007-12-12 EP disclosed
WO-2007086001-A2 NOVEL PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2007-08-02 WO disclosed
WO-2006100631-A1 HYDROGENATED BENZO (C) THIOPHENE DERIVATIVES AS IMMUNOMODULATORS 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 TP53 868/4885HPGD 351/4885KDM4E 720/4885
US-20090005421-A1 Novel Pyridine Derivatives NFATC1, TPMT, CD47 TP53 752/4885HPGD 861/4885KDM4E 708/4885
US-20120195930-A1 NOVEL PYRIDINE DERIVATIVES NFATC1, TPMT, CD47 TP53 752/4885HPGD 861/4885KDM4E 708/4885
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 TP53 4572/4885HPGD 2350/4885KDM4E 1167/4885

“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.