SCHEMBL2293714

SCHEMBL2293714

C=CCOc1ccc(-c2noc(-c3cc(CC(C)C)c(C)s3)n2)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.41
S1PR3 Q99500 1/20 0.41
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 4/20 0.37
TP53 P04637 3/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 3/20 0.37
HSD17B10 Q99714 3/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36

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
SCHEMBL2291752 0.84 S1PR1 (0.51) S1PR1S1PR3NPC1RAB9ASMN1; SMN2
SCHEMBL2293670 0.78 S1PR1 (0.68) S1PR1S1PR3
SCHEMBL2293085 0.68 S1PR1 (0.51) S1PR1S1PR3NPC1RAB9ASMN1; SMN2
SCHEMBL3223867 0.63 S1PR1 (0.52) S1PR1S1PR3NPC1RAB9ASMN1; SMN2
SCHEMBL3223901 0.63 S1PR1 (0.52) S1PR1S1PR3NPC1RAB9ASMN1; SMN2
SCHEMBL252012 0.63 NOS1 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL2291372 0.62 S1PR1 (0.73) S1PR1S1PR3
SCHEMBL24436737 0.62 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1KDM4EMAPTMEN1
SCHEMBL2294936 0.61 S1PR1 (0.47) S1PR1S1PR3TP53
SCHEMBL7794802 0.61 ALDH1A1 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E

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 5 patents. 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-8003800-B2 Thiophene derivatives as S1P1/EDG1 receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-23 US disclosed
US-20100240717-A1 NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-23 US disclosed
EP-1976512-A1 NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2008-10-08 EP disclosed
WO-2007080542-A1 NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2007-07-19 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 (1 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-20100240717-A1 NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS S1PR3, S1PR1, S1PR2 S1PR1 2/4885S1PR3 1/4885NPC1 1576/4885

“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.