SCHEMBL15042804

SCHEMBL15042804

Cc1sc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)cc1-c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 7/20 0.78
▸ S1PR5 Q9H228 2/20 0.78
▸ ALOX15 P16050 1/20 0.78
▸ HDAC4 P56524 2/20 0.56
▸ HDAC1 Q13547 2/20 0.56
▸ HDAC6 Q9UBN7 2/20 0.56
▸ NR1H4 Q96RI1 1/20 0.54
▸ NPSR1 Q6W5P4 2/20 0.53
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ HPGD P15428 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ CASP3 P42574 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ S1PR3 Q99500 2/20 0.44
▸ S1PR4 O95977 1/20 0.44

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
SCHEMBL436150 0.87 S1PR1 (1.00) S1PR1S1PR5ALOX15HDAC4HDAC1
SCHEMBL29389224 0.87 S1PR1 (1.00) S1PR1S1PR5ALOX15HDAC4HDAC1
SCHEMBL14327877 0.80 SMN1; SMN2 (0.60) S1PR1S1PR5ALOX15NPSR1NPC1
SCHEMBL14327901 0.78 S1PR1 (0.57) S1PR1S1PR5ALOX15NPSR1NPC1
SCHEMBL29695849 0.78 S1PR1 (0.82) S1PR1S1PR5ALOX15HDAC4HDAC1
SCHEMBL14327879 0.78 ALDH1A1 (0.56) S1PR1S1PR5ALOX15NR1H4NPSR1
SCHEMBL5953007 0.78 S1PR1 (0.51) S1PR1S1PR5ALOX15HDAC4HDAC1
SCHEMBL13416529 0.77 S1PR1 (1.00) S1PR1S1PR5ALOX15HDAC4HDAC1
SCHEMBL28537555 0.76 HDAC6 (0.67) S1PR1S1PR5ALOX15HDAC4HDAC1
SCHEMBL13930792 0.76 CASP3 (0.65) S1PR1S1PR5ALOX15HDAC4HDAC1

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
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 disclosed
US-20170216356-A1 IMMUNOTHERAPY USING REDIRECTED ALLOGENEIC CELLS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2017-08-03 — — US disclosed
US-9623049-B2 Immunotherapy using redirected allogeneic cells YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2017-04-18 — — US disclosed
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 disclosed
US-20130156794-A1 IMMUNOTHERAPY USING REDIRECTED ALLOGENEIC CELLS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2013-06-20 — — 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 (3 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-20130156794-A1 IMMUNOTHERAPY USING REDIRECTED ALLOGENEIC CELLS CD47, CD69, ICOS S1PR1 150/4885S1PR5 161/4885ALOX15 1876/4885
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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