SCHEMBL1845783

SCHEMBL1845783

CCOC(=O)C(C)(C)Cn1ccc2cc(-c3noc(-c4cc(-c5ccccc5)c(C(F)(F)F)s4)n3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 12/20 0.53
S1PR3 Q99500 3/20 0.51
S1PR5 Q9H228 2/20 0.51
S1PR4 O95977 1/20 0.51
ALOX15 P16050 1/20 0.51
HDAC4 P56524 3/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC6 Q9UBN7 3/20 0.37
PPARA Q07869 3/20 0.34
PPARD Q03181 2/20 0.34
ATM Q13315 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
PPARG P37231 1/20 0.34

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
SCHEMBL403521 0.91 S1PR1 (0.58) S1PR1S1PR3S1PR5S1PR4ALOX15
SCHEMBL10113635 0.89 S1PR1 (0.55) S1PR1S1PR3S1PR5S1PR4ALOX15
SCHEMBL404581 0.87 S1PR1 (0.54) S1PR1S1PR3S1PR5S1PR4ALOX15
SCHEMBL401498 0.84 S1PR1 (0.62) S1PR1S1PR3S1PR5S1PR4ALOX15
SCHEMBL402626 0.83 S1PR1 (0.60) S1PR1S1PR3S1PR5S1PR4ALOX15
SCHEMBL404759 0.81 S1PR1 (0.58) S1PR1S1PR3S1PR5S1PR4ALOX15
SCHEMBL404372 0.80 S1PR1 (0.58) S1PR1S1PR3S1PR5S1PR4ALOX15
SCHEMBL27787936 0.80 S1PR1 (0.60) S1PR1S1PR3S1PR5S1PR4ALOX15
SCHEMBL14189095 0.79 S1PR1 (0.34) S1PR1S1PR3S1PR5S1PR4ALOX15
SCHEMBL1398565 0.77 S1PR1 (0.54) S1PR1S1PR3S1PR5S1PR4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206710-B1 Indole derivatives as S1P1 receptor agonists GLAXO GROUP LTD (GB) 2012-07-04 EP disclosed
US-8101775-B2 Indole derivatives as S1P1 Receptor GLAXO GROUP LIMITED (GB) 2012-01-24 US disclosed
US-8101775-B2 Indole derivatives as S1P1 Receptor GLAXO GROUP LIMITED (GB) 2012-01-24 US disclosed
EP-2091949-B1 INDOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2011-05-18 EP disclosed
EP-2206710-A1 Indole derivatives as S1P1 receptor agonists Glaxo Group Limited (GB) 2010-07-14 EP disclosed
US-20100113796-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR GLAXO GROUP LIMITED 2010-05-06 US disclosed
US-20100113796-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR GLAXO GROUP LIMITED 2010-05-06 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 (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-20100113796-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR3 2/4885S1PR5 4/4885

“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.