SCHEMBL5989549

SCHEMBL5989549

Cc1noc(-c2cc(-c3ccccc3)c(C(F)(F)F)s2)n1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 10/20 0.77
▸ S1PR5 Q9H228 2/20 0.67
▸ ALOX15 P16050 1/20 0.67
▸ S1PR3 Q99500 5/20 0.52
▸ S1PR4 O95977 1/20 0.52
▸ HDAC4 P56524 2/20 0.44
▸ HDAC1 Q13547 2/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC9 Q9UKV0 1/20 0.44
▸ HDAC5 Q9UQL6 1/20 0.44
▸ PDK2 Q15119 2/20 0.43
▸ PLK1 P53350 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ THRB P10828 1/20 0.42

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
SCHEMBL13416529 0.87 S1PR1 (1.00) S1PR1S1PR5ALOX15S1PR3S1PR4
SCHEMBL13524983 0.85 S1PR1 (0.78) S1PR1S1PR5ALOX15S1PR3S1PR4
SCHEMBL14195593 0.84 S1PR1 (0.72) S1PR1S1PR5ALOX15S1PR3S1PR4
SCHEMBL5953007 0.82 S1PR1 (0.51) S1PR1S1PR5ALOX15HDAC4HDAC1
SCHEMBL1413283 0.81 S1PR1 (0.88) S1PR1S1PR5ALOX15S1PR3S1PR4
SCHEMBL1402234 0.81 S1PR1 (0.70) S1PR1S1PR5ALOX15S1PR3S1PR4
SCHEMBL436150 0.81 S1PR1 (1.00) S1PR1S1PR5ALOX15S1PR3S1PR4
SCHEMBL29389224 0.81 S1PR1 (1.00) S1PR1S1PR5ALOX15S1PR3S1PR4
SCHEMBL13960100 0.80 S1PR1 (0.80) S1PR1S1PR5ALOX15S1PR3S1PR4
SCHEMBL24161900 0.80 S1PR1 (0.80) S1PR1S1PR5ALOX15S1PR3S1PR4

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173710-B2 Bicyclic sphingosine 1-phosphate analogs UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-05-08 — — US disclosed
US-20110195936-A1 BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-08-11 — — US disclosed
US-7964649-B2 Hydrindane analogs having sphingosine 1-phosphate receptor agonist activity UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-06-21 — — US disclosed
US-7964649-B2 Hydrindane analogs having sphingosine 1-phosphate receptor agonist activity UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-06-21 — — US disclosed
US-20110106241-A1 COMPOSITIONS AND METHODS FOR INHIBITING SPHINGOSINE KINASE UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2011-05-05 — — US disclosed
US-7915315-B2 Benzocycloheptyl analogs having sphingosine 1-phosphate receptor activity UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-03-29 — — US disclosed
US-7915315-B2 Benzocycloheptyl analogs having sphingosine 1-phosphate receptor activity UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-03-29 — — US disclosed
US-20100240617-A1 BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2010-09-23 — — US disclosed
US-20100240617-A1 BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2010-09-23 — — US disclosed
US-7786173-B2 Tetralin analogs having sphingosine 1-phosphate agonist activity UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2010-08-31 — — US disclosed
US-20090253760-A1 HYDRINDANE ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONIST ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2009-10-08 — — US disclosed
US-20090253760-A1 HYDRINDANE ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONIST ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2009-10-08 — — US disclosed
US-20090253761-A1 BENZOCYCLOHEPTYL ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2009-10-08 — — US disclosed
US-20090105315-A1 PHENYL-CYCLOALKYL AND PHENYL-HETEROCYCLIC DERIVATIVES AS S1P RECEPTOR AGONISTS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2009-04-23 — — US disclosed
US-20090105315-A1 PHENYL-CYCLOALKYL AND PHENYL-HETEROCYCLIC DERIVATIVES AS S1P RECEPTOR AGONISTS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2009-04-23 — — US disclosed
US-20090042955-A1 BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2009-02-12 — — US disclosed
US-20090042955-A1 BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2009-02-12 — — US disclosed
US-7351725-B2 N-(benzyl)aminoalkylcarboxylates, phosphinates, phosphonates and tetrazoles as Edg receptor agonists MERCK & CO., INC. (US) 2008-04-01 — — US disclosed
US-7309721-B2 Immunosuppressants for treating diseases and conditions of bone marrow, organ and tissue transplant rejection; chemotherapeutic drug for cancers; antiinflammatory agents for rheumatoid arthritis; activate the production of lymphocyte; 2-Amino-4-(4-(octylphenyl))butanol, O-phosphate MERCK + CO., INC. (US) 2007-12-18 — — US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20090253760-A1 HYDRINDANE ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONIST ACTIVITY S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR5 5/4885ALOX15 2950/4885
US-20110106241-A1 COMPOSITIONS AND METHODS FOR INHIBITING SPHINGOSINE KINASE SPHK2, SPHK1, S1PR2 S1PR1 5/4885S1PR5 6/4885ALOX15 1890/4885
US-20090105315-A1 PHENYL-CYCLOALKYL AND PHENYL-HETEROCYCLIC DERIVATIVES AS S1P RECEPTOR AGONISTS S1PR1, S1PR3, S1PR4 S1PR1 1/4885S1PR5 5/4885ALOX15 2122/4885
US-20090042955-A1 BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR4, S1PR3 S1PR1 1/4885S1PR5 5/4885ALOX15 2800/4885
US-20110195936-A1 BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR4, S1PR3 S1PR1 1/4885S1PR5 5/4885ALOX15 2800/4885
US-20100240617-A1 BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR4, S1PR3 S1PR1 1/4885S1PR5 5/4885ALOX15 2800/4885
US-20090253761-A1 BENZOCYCLOHEPTYL ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR ACTIVITY S1PR1, S1PR4, S1PR2 S1PR1 1/4885S1PR5 5/4885ALOX15 2887/4885

“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.

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