SCHEMBL1856522

SCHEMBL1856522

CCC1CCc2c(csc2C(=O)O)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 7/20 0.39
FABP5 Q01469 7/20 0.39
GAA P10253 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
LNPEP Q9UIQ6 1/20 0.37
RAB9A P51151 2/20 0.37
TNIK Q9UKE5 1/20 0.37
NPC1 O15118 1/20 0.37
AIP O00170 1/20 0.35
SGTA O43765 1/20 0.35
TOMM70 O94826 1/20 0.35
STIP1 P31948 1/20 0.35
PPP5C P53041 1/20 0.35
DNAJC7 Q99615 1/20 0.35
STUB1 Q9UNE7 1/20 0.35
PTPN5 P54829 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL1868070 0.88 GAA (0.38) FABP4FABP5GAAALDH1A1MAPT
SCHEMBL1854254 0.80 ALDH1A1 (0.38) GAAALDH1A1MAPTHPGDRAB9A
SCHEMBL1860082 0.76 S1PR1 (0.46) GAAALDH1A1MAPTHPGDRAB9A
SCHEMBL12214424 0.74 CYP1A2 (0.39)
SCHEMBL1860341 0.74 CYP1A2 (0.39)
SCHEMBL23334741 0.69 TP53 (0.57) GAAALDH1A1MAPTHPGDRAB9A
SCHEMBL3979426 0.69 HPGD (0.62) GAAALDH1A1MAPTHPGDRAB9A
SCHEMBL1860995 0.68 TP53 (0.33) GAAMAPTHPGDRAB9ANPC1
SCHEMBL18365888 0.68 MAPT (0.35) FABP4FABP5GAAALDH1A1MAPT
SCHEMBL3347584 0.68 TBXAS1 (0.59) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1

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 14 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
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-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
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-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
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

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-20100204198-A1 HYDROGENATED BENZO (C) THIOPHENE DERIVATIVES AS IMMUNOMODULATORS NFATC1, ICOS, TPMT FABP4 2715/4885FABP5 1858/4885GAA 2775/4885
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 FABP4 3962/4885FABP5 1597/4885GAA 4095/4885

“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.