SCHEMBL2064752

SCHEMBL2064752

CCN(CC)Cc1sc(-c2nc(-c3ccc(OC[C@@H](O)CO)cc3OC)no2)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 15/20 0.43
S1PR3 Q99500 12/20 0.43
MAP4K4 O95819 1/20 0.41
PRKCD Q05655 1/20 0.41
MINK1 Q8N4C8 1/20 0.41
S1PR5 Q9H228 1/20 0.40
PTPN1 P18031 1/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL2064028 0.83 S1PR1 (0.56) S1PR1S1PR3S1PR5
SCHEMBL2065621 0.82 S1PR1 (0.40) S1PR1S1PR3NPC1RAB9ATP53
SCHEMBL884160 0.80 S1PR1 (0.61) S1PR1S1PR3S1PR5
SCHEMBL884161 0.80 S1PR1 (0.61) S1PR1S1PR3S1PR5
SCHEMBL2291752 0.79 S1PR1 (0.51) S1PR1S1PR3MAP4K4PRKCDMINK1
SCHEMBL884114 0.77 S1PR1 (0.57) S1PR1S1PR3S1PR5
SCHEMBL884112 0.77 S1PR1 (0.57) S1PR1S1PR3S1PR5
SCHEMBL3276801 0.76 S1PR1 (0.49) S1PR1S1PR3MAP4K4PRKCDMINK1
SCHEMBL4443234 0.76 S1PR1 (0.49) S1PR1S1PR3MAP4K4PRKCDMINK1
SCHEMBL2065637 0.75 S1PR1 (0.45) S1PR1S1PR3S1PR5

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-2222667-B1 NOVEL THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 ACTELION PHARMACEUTICALS LTD (CH) 2013-02-20 EP disclosed
US-8148410-B2 Thiophene derivatives as agonists of S1P1/EDG1 ACTELION PHARMACEUTICALS LTD. (CH) 2012-04-03 US disclosed
US-20100261702-A1 THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 ACTELION PHARMACEUTICALS LTD. (CH) 2010-10-14 US disclosed
EP-2222667-A2 NOVEL THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 Actelion Pharmaceuticals Ltd. (CH) 2010-09-01 EP disclosed
WO-2009074950-A2 THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 ACTELION PHARMACEUTICALS LTD (CH) 2009-06-18 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-20100261702-A1 THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 S1PR1, S1PR3, S1PR5 S1PR1 1/4885S1PR3 2/4885MAP4K4 2706/4885

“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.