SCHEMBL12450356

SCHEMBL12450356

CCCCCOc1ccc(/C=C/[C@H](O)[C@@H](CO)NC)cc1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.70
SPHK2 Q9NRA0 1/20 0.70
AHR P35869 1/20 0.43
NR5A1 Q13285 1/20 0.42
APP P05067 11/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
LTA4H P09960 1/20 0.40

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
SCHEMBL20905106 0.97 SPHK1 (0.70) SPHK1SPHK2AHRAPPABCG2
SCHEMBL13896121 0.91 SPHK1 (0.57) SPHK1SPHK2AHRNR5A1APP
SCHEMBL20168979 0.90 SPHK1 (0.56) SPHK1SPHK2AHRNR5A1APP
SCHEMBL23519671 0.89 SPHK1 (0.55) SPHK1SPHK2AHRNR5A1ABCG2
SCHEMBL18194576 0.86 SPHK1 (0.52) SPHK1SPHK2AHRNR5A1ABCG2
SCHEMBL12450354 0.86 SPHK1 (0.52) SPHK1SPHK2AHRNR5A1ABCG2
SCHEMBL12812128 0.85 SPHK1 (0.51) SPHK1SPHK2AHRNR5A1ABCG2
SCHEMBL20592376 0.82 SPHK1 (1.00) SPHK1SPHK2
SCHEMBL20596127 0.82 SPHK1 (1.00) SPHK1SPHK2
SCHEMBL18194573 0.82 SPHK1 (1.00) SPHK1SPHK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240024259-A1 SPHINGOSINE PATHWAY MODULATING COMPOUNDS FOR THE TREATMENT OF CANCERS ENZO BIOCHEM, INC. (US) 2024-01-25 US disclosed
US-11737992-B2 Sphingosine kinase Type 1 inhibitors and uses thereof ENZO THERAPEUTICS, INC. (US) 2023-08-29 US disclosed
US-11723895-B2 Sphingosine pathway modulating compounds for the treatment of coronavirus infection ENZO BIOCHEM, INC. (US) 2023-08-15 US disclosed
US-20210290567-A1 SPHINGOSINE PATHWAY MODULATING COMPOUNDS FOR THE TREATMENT OF CORONAVIRUS INFECTION ENZO BIOCHEM, INC. (US) 2021-09-23 US disclosed
US-20210177776-A1 SPHINGOSINE KINASE TYPE 1 INHIBITORS AND USES THEREOF ENZO THERAPEUTICS, INC. (US) 2021-06-17 US disclosed
US-20210169860-A1 SPHINGOSINE PATHWAY MODULATING COMPOUNDS FOR THE TREATMENT OF CANCERS ENZO BIOCHEM, INC. (US) 2021-06-10 US disclosed
US-10945971-B2 Sphingosine kinase type 1 inhibitors and uses thereof ENZO THERAPEUTICS, INC. (US) 2021-03-16 US disclosed
US-20210000766-A1 SPHINGOSINE PATHWAY MODULATING COMPOUNDS FOR THE TREATMENT OF CANCERS ENZO BIOCHEM, INC. (US) 2021-01-07 US disclosed
US-10881643-B2 Sphingosine pathway modulating compounds for the treatment of cancers ENZO BIOCHEM, INC. (US) 2021-01-05 US disclosed
US-20200230113-A1 SPHINGOSINE PATHWAY MODULATING COMPOUNDS FOR THE TREATMENT OF CANCERS ENZO BIOCHEM, INC. (US) 2020-07-23 US disclosed
US-9388121-B2 Sphingosine kinase type 1 inhibitors ENZO THERAPEUTICS, INC. (US) 2016-07-12 US disclosed
US-20130245321-A1 SPHINGOSINE KINASE TYPE 1 INHIBITORS VIRGINIA COMMONWEALTH UNIVERSITY 2013-09-19 US disclosed
US-20130245321-A1 SPHINGOSINE KINASE TYPE 1 INHIBITORS VIRGINIA COMMONWEALTH UNIVERSITY 2013-09-19 US disclosed
US-8314151-B2 Sphingosine kinase type 1 inhibitors, and processes for using same ENZO THERAPEUTICS, INC. (US) 2012-11-20 US disclosed
US-8314151-B2 Sphingosine kinase type 1 inhibitors, and processes for using same ENZO THERAPEUTICS, INC. (US) 2012-11-20 US disclosed
US-20120237448-A9 SPHINGOSINE KINASE TYPE 1 INHIBITORS, AND PROCESSES FOR USING SAME VIRGINIA COMMONWEALTH UNIVERSITY 2012-09-20 US disclosed
US-20120237448-A9 SPHINGOSINE KINASE TYPE 1 INHIBITORS, AND PROCESSES FOR USING SAME VIRGINIA COMMONWEALTH UNIVERSITY 2012-09-20 US disclosed
WO-2011025545-A1 SPHINGOSINE TYPE 1 INHIBITORS AND METHODS FOR MAKING AND USING SAME ENZO THERAPEUTICS, INC. (US) 2011-03-03 WO disclosed
US-20100278741-A1 Novel compositions including sphingosine kinase type 1 inhibitors, and processes for using same ENZO THERAPEUTICS, INC. C/O ENZO BIOCHEM, INC. 2010-11-04 US disclosed
US-20100278741-A1 Novel compositions including sphingosine kinase type 1 inhibitors, and processes for using same ENZO THERAPEUTICS, INC. C/O ENZO BIOCHEM, INC. 2010-11-04 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 (13 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-20120237448-A9 SPHINGOSINE KINASE TYPE 1 INHIBITORS, AND PROCESSES FOR USING SAME SPHK1, SPHK2, S1PR1 SPHK1 1/4885SPHK2 2/4885AHR 4670/4885
US-11723895-B2 Sphingosine pathway modulating compounds for the treatment of coronavirus infection S1PR1, SPHK1, S1PR4 SPHK1 2/4885SPHK2 7/4885AHR 817/4885
US-20200230113-A1 SPHINGOSINE PATHWAY MODULATING COMPOUNDS FOR THE TREATMENT OF CANCERS S1PR1, SPHK1, S1PR4 SPHK1 2/4885SPHK2 7/4885AHR 653/4885
US-20210000766-A1 SPHINGOSINE PATHWAY MODULATING COMPOUNDS FOR THE TREATMENT OF CANCERS S1PR1, SPHK1, S1PR4 SPHK1 2/4885SPHK2 7/4885AHR 653/4885
US-20130245321-A1 SPHINGOSINE KINASE TYPE 1 INHIBITORS SPHK1, SPHK2, S1PR1 SPHK1 1/4885SPHK2 2/4885AHR 4512/4885
US-10945971-B2 Sphingosine kinase type 1 inhibitors and uses thereof SPHK1, SPHK2, S1PR1 SPHK1 1/4885SPHK2 2/4885AHR 4523/4885
US-20100278741-A1 Novel compositions including sphingosine kinase type 1 inhibitors, and processes for using same SPHK1, SPHK2, S1PR1 SPHK1 1/4885SPHK2 2/4885AHR 4633/4885
US-20210177776-A1 SPHINGOSINE KINASE TYPE 1 INHIBITORS AND USES THEREOF SPHK1, SPHK2, S1PR1 SPHK1 1/4885SPHK2 2/4885AHR 4728/4885
US-20210290567-A1 SPHINGOSINE PATHWAY MODULATING COMPOUNDS FOR THE TREATMENT OF CORONAVIRUS INFECTION S1PR1, SPHK1, S1PR4 SPHK1 2/4885SPHK2 7/4885AHR 817/4885
US-11737992-B2 Sphingosine kinase Type 1 inhibitors and uses thereof SPHK1, SPHK2, S1PR1 SPHK1 1/4885SPHK2 2/4885AHR 4728/4885
US-10881643-B2 Sphingosine pathway modulating compounds for the treatment of cancers S1PR1, SPHK1, S1PR4 SPHK1 2/4885SPHK2 7/4885AHR 653/4885
US-20210169860-A1 SPHINGOSINE PATHWAY MODULATING COMPOUNDS FOR THE TREATMENT OF CANCERS S1PR1, SPHK1, S1PR4 SPHK1 2/4885SPHK2 7/4885AHR 653/4885
US-20240024259-A1 SPHINGOSINE PATHWAY MODULATING COMPOUNDS FOR THE TREATMENT OF CANCERS S1PR1, SPHK1, S1PR4 SPHK1 2/4885SPHK2 7/4885AHR 653/4885

“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.