SCHEMBL1032579

SCHEMBL1032579

Cc1cc2c(cc1OCc1cc(-c3ccccc3)c(C(F)(F)F)s1)CCC2=O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 14/20 0.54
S1PR5 Q9H228 13/20 0.54
S1PR4 O95977 12/20 0.54
S1PR3 Q99500 9/20 0.54
PLK1 P53350 1/20 0.38
PTPN1 P18031 1/20 0.35
PPARD Q03181 1/20 0.34
MAOB P27338 1/20 0.33
MAPT P10636 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL1032578 0.82 S1PR4 (0.54) S1PR1S1PR5S1PR4S1PR3MAOB
SCHEMBL3822157 0.76 S1PR1 (0.59) S1PR1S1PR5S1PR4S1PR3PLK1
SCHEMBL12956548 0.76 S1PR1 (0.63) S1PR1S1PR5S1PR4S1PR3PLK1
SCHEMBL3898708 0.73 S1PR1 (0.47) S1PR1S1PR5S1PR4S1PR3PLK1
SCHEMBL10088965 0.73 S1PR1 (0.49) S1PR1S1PR5S1PR4S1PR3PLK1
SCHEMBL13957338 0.72 S1PR1 (0.48) S1PR1S1PR5S1PR4S1PR3PLK1
SCHEMBL13957979 0.71 S1PR1 (0.51) S1PR1S1PR5S1PR4S1PR3PLK1
Ammonia Solution, Strong SCHEMBL4951074 0.71 S1PR1 (0.58) S1PR1S1PR5S1PR4S1PR3PLK1
SCHEMBL5988215 0.71 PLK1 (0.49) S1PR1S1PR5S1PR4S1PR3PLK1
SCHEMBL13598542 0.71 S1PR1 (0.49) S1PR1S1PR5S1PR4S1PR3PLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581509-B1 1-(AMINO)INDANES AS EDG RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2011-01-19 EP disclosed
EP-1581509-A4 1-(AMINO)INDANES AND (1,2-DIHYDRO-3-AMINO)-BENZOFURANS, BENZOTHIOPHENES AND INDOLES AS EDG RECEPTOR AGONISTS MERCK & CO INC (US) 2008-04-23 EP disclosed
US-7220734-B2 1-(amino)indanes and (1,2-dihydro-3-amino)-benzofurans, benzothiophenes and indoles as Edg receptor agonists MERCK & CO., INC. (US) 2007-05-22 US disclosed
US-20060161005-A1 1-(Amino)indanes and (1,2-dihydro-3-amino)-benzofurans, benzothiophenes and indoles as edg receptor agonists MERCK SHARP & DOHME CORP. 2006-07-20 US disclosed
EP-1581509-A2 1-(AMINO)INDANES AND (1,2-DIHYDRO-3-AMINO)-BENZOFURANS, BENZOTHIOPHENES AND INDOLES AS EDG RECEPTOR AGONISTS Merck & Co., Inc. (US) 2005-10-05 EP disclosed
WO-2004058149-A2 1-(AMINO)INDANES AND (1,2-DIHYDRO-3-AMINO)-BENZOFURANS, BENZOTHIOPHENES AND INDOLES MERCK & CO., INC. (US) 2004-07-15 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-20060161005-A1 1-(Amino)indanes and (1,2-dihydro-3-amino)-benzofurans, benzothiophenes and indoles as edg receptor agonists IDO1, IDO2, EDNRA S1PR1 518/4885S1PR5 926/4885S1PR4 983/4885

“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.