SCHEMBL436150

SCHEMBL436150

FC(F)(F)c1cccc(-c2noc(-c3cc(-c4ccccc4)c(C(F)(F)F)s3)n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 10/20 1.00
▸ S1PR5 Q9H228 2/20 1.00
▸ ALOX15 P16050 1/20 1.00
▸ HDAC4 P56524 2/20 0.57
▸ HDAC1 Q13547 2/20 0.57
▸ HDAC6 Q9UBN7 2/20 0.57
▸ S1PR3 Q99500 5/20 0.56
▸ S1PR4 O95977 1/20 0.56
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ CASP3 P42574 1/20 0.53
▸ NR1H4 Q96RI1 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ MAPT P10636 1/20 0.50

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
SCHEMBL29389224 1.00 S1PR1 (1.00) S1PR1S1PR5ALOX15HDAC4HDAC1
SCHEMBL13416529 0.90 S1PR1 (1.00) S1PR1S1PR5ALOX15HDAC4HDAC1
SCHEMBL29695849 0.90 S1PR1 (0.82) S1PR1S1PR5ALOX15HDAC4HDAC1
SCHEMBL24161900 0.87 S1PR1 (0.80) S1PR1S1PR5ALOX15HDAC4HDAC1
SCHEMBL15042804 0.87 S1PR1 (0.78) S1PR1S1PR5ALOX15HDAC4HDAC1
SCHEMBL1413283 0.85 S1PR1 (0.88) S1PR1S1PR5ALOX15HDAC4HDAC1
SCHEMBL13416916 0.83 S1PR1 (0.77) S1PR1S1PR5ALOX15HDAC4HDAC1
SCHEMBL13416846 0.83 S1PR1 (0.76) S1PR1S1PR5ALOX15HDAC4HDAC1
SCHEMBL14330169 0.82 S1PR1 (0.75) S1PR1S1PR5ALOX15HDAC4HDAC1
SCHEMBL2595803 0.82 S1PR1 (0.68) S1PR1S1PR5ALOX15HDAC6NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2566954-B2 IMMUNOTHERAPY USING REDIRECTED ALLOGENEIC CELLS YEDA RES & DEV (IL) 2022-11-02 — — EP claimed
EP-2566954-B1 IMMUNOTHERAPY USING REDIRECTED ALLOGENEIC CELLS YEDA RES & DEV (IL) 2018-08-29 — — EP claimed
WO-2018119080-A1 COMPOSITIONS AND METHODS FOR TREATING HEPATIC DISORDERS CORNELL UNIVERSITY (US) 2018-06-28 — — WO claimed
US-9763980-B2 Combined chemical modification of sphingosine-1-phosphate (S1P) and CXCR4 signalling pathways for hematopoietic stem cell (HSC) mobilization and engraftment CHILDREN'S MEDICAL CENTER CORPORATION (US) 2017-09-19 — — US claimed
US-20170216356-A1 IMMUNOTHERAPY USING REDIRECTED ALLOGENEIC CELLS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2017-08-03 — — US claimed
US-9623049-B2 Immunotherapy using redirected allogeneic cells YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2017-04-18 — — US claimed
US-20140193376-A1 COMBINED CHEMICAL MODIFICATION OF SPHINGOSINE-1-PHOSPHATE (S1P) AND CXCR4 SIGNALLING PATHWAYS FOR HEMATOPOIETIC STEM CELL (HSC) MOBILIZATION AND ENGRAFTMENT CHILDREN'S MEDICAL CENTER CORPORATION (US) 2014-07-10 — — US claimed
EP-2720690-A1 COMBINED CHEMICAL MODIFICATION OF SPHINGOSINE-1-PHOSPHATE (S1P) AND CXCR4 SIGNALLING PATHWAYS FOR HEMATOPOIETIC STEM CELL (HSC) MOBILIZATION AND ENGRAFTMENT Children's Medical Center Corporation (US) 2014-04-23 — — EP claimed
US-20130156794-A1 IMMUNOTHERAPY USING REDIRECTED ALLOGENEIC CELLS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2013-06-20 — — US claimed
EP-2566954-A1 IMMUNOTHERAPY USING REDIRECTED ALLOGENEIC CELLS Yeda Research and Development Co. Ltd. (IL) 2013-03-13 — — EP claimed
WO-2012174522-A1 COMBINED CHEMICAL MODIFICATION OF SPHINGOSINE-1-PHOSPHATE (S1P) AND CXCR4 SIGNALLING PATHWAYS FOR HEMATOPOIETIC STEM CELL (HSC) MOBILIZATION AND ENGRAFTMENT CHILDREN'S MEDICAL CENTER CORPORATION (US) 2012-12-20 — — WO claimed
WO-2011140170-A1 IMMUNOTHERAPY USING REDIRECTED ALLOGENEIC CELLS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2011-11-10 — — WO claimed
WO-2009074969-A2 SPHINGOSINE-1-PHOSPHATE, ANALOGS AND ANTAGONISTS FOR USE AS MEDICAMENTS UNIVERSITY OF LAUSANNE (CH) 2009-06-18 — — WO claimed
WO-2023150572-A1 METHODS FOR REDUCING ALCOHOL, DRUG, AND FOOD INTAKE THE SCRIPPS RESEARCH INSTITUTE (US) 2023-08-10 — — WO disclosed
EP-4168034-A1 RECOMBINANT POLYPEPTIDES AND COMBINATIONS FOR USE IN THE TREATMENT OF CANCER Imunami Laboratories Pte. Ltd. (SG) 2023-04-26 — — EP disclosed
US-20230084027-A1 COMBINATION IMMUNE THERAPY AND CYTOKINE CONTROL THERAPY FOR CANCER TREATMENT ENLIVEX THERAPEUTICS RDO LTD (IL) 2023-03-16 — — US disclosed
US-20090029949-A1 GPCR Ligands Identified by Computational Modeling NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-01-29 — — US disclosed
WO-2008124210-A1 METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING INFECTION USING LEUKOCYTE SEQUESTRATION AGENTS EMORY UNIVERSITY (US) 2008-10-16 — — WO disclosed
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-28 — — US disclosed
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-28 — — 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 (5 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-20140193376-A1 COMBINED CHEMICAL MODIFICATION OF SPHINGOSINE-1-PHOSPHATE (S1P) AND CXCR4 SIGNALLING PATHWAYS FOR HEMATOPOIETIC STEM CELL (HSC) MOBILIZATION AND ENGRAFTMENT S1PR1, S1PR4, S1PR3 S1PR1 1/4885S1PR5 5/4885ALOX15 2523/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 S1PR1 1/4885S1PR5 5/4885ALOX15 831/4885
US-20130156794-A1 IMMUNOTHERAPY USING REDIRECTED ALLOGENEIC CELLS CD47, CD69, ICOS S1PR1 150/4885S1PR5 161/4885ALOX15 1876/4885
US-20090029949-A1 GPCR Ligands Identified by Computational Modeling LPAR3, LPAR2, LPAR1 S1PR1 6/4885S1PR5 11/4885ALOX15 891/4885
US-20170216356-A1 IMMUNOTHERAPY USING REDIRECTED ALLOGENEIC CELLS CD47, CD69, ICOS S1PR1 150/4885S1PR5 161/4885ALOX15 1876/4885

“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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