SCHEMBL12450362

SCHEMBL12450362

CCCCCc1ccc(/C=C/[C@H](O)[C@@H](CO)NC(C)=O)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 8/20 0.74
SPHK2 Q9NRA0 2/20 0.74
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
MAPT P10636 1/20 0.55
CYP2C9 P11712 1/20 0.55
MAPK1 P28482 1/20 0.55
CYP2C19 P33261 1/20 0.55
ASAH2 Q9NR71 2/20 0.44
ICMT O60725 1/20 0.43
THRB P10828 1/20 0.42
CETP P11597 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TRPA1 O75762 1/20 0.42
TRPM2 O94759 1/20 0.42
PLA2G1B P04054 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
CYSLTR2 Q9NS75 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
SCHEMBL20651207 1.00 SPHK1 (0.74) SPHK1SPHK2TP53CYP1A2CYP2D6
SCHEMBL13896118 0.92 SPHK1 (0.65) SPHK1SPHK2TP53CYP1A2CYP2D6
SCHEMBL20651355 0.87 SPHK1 (0.65) SPHK1SPHK2TP53CYP1A2CYP2D6
SCHEMBL15259087 0.87 SPHK1 (0.65) SPHK1SPHK2TP53CYP1A2CYP2D6
SCHEMBL23519395 0.86 SPHK1 (0.64) SPHK1SPHK2TP53CYP1A2CYP2D6
SCHEMBL20592376 0.85 SPHK1 (1.00) SPHK1SPHK2TP53CYP2D6CYP2C9
SCHEMBL20596127 0.85 SPHK1 (1.00) SPHK1SPHK2TP53CYP2D6CYP2C9
SCHEMBL18194573 0.85 SPHK1 (1.00) SPHK1SPHK2TP53CYP2D6CYP2C9
SCHEMBL120911 0.85 SPHK1 (1.00) SPHK1SPHK2TP53CYP2D6CYP2C9
SCHEMBL14633002 0.85 SPHK1 (1.00) SPHK1SPHK2TP53CYP2D6CYP2C9

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 36 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-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-20230158003-A1 Sphingosine Pathway Modulating Compounds For The Treatment Of Coronavirus Infection ENZO BIOCHEM, INC. (US) 2023-05-25 US disclosed
WO-2021188326-A1 SPHINGOSINE PATHWAY MODULATING COMPOUNDS FOR THE TREATMENT OF CORONAVIRUS INFECTION ENZO BIOCHEM, INC. (US) 2021-09-23 WO 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-20200222341-A1 SPHINGOSINE PATHWAY MODULATING COMPOUNDS FOR THE TREATMENT OF CANCERS ENZO BIOCHEM, INC. (US) 2020-07-16 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 (11 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-20200222341-A1 SPHINGOSINE PATHWAY MODULATING COMPOUNDS FOR THE TREATMENT OF CANCERS S1PR1, SPHK1, S1PR4 SPHK1 2/4885SPHK2 7/4885TP53 1113/4885
US-20120237448-A9 SPHINGOSINE KINASE TYPE 1 INHIBITORS, AND PROCESSES FOR USING SAME SPHK1, SPHK2, S1PR1 SPHK1 1/4885SPHK2 2/4885TP53 2797/4885
US-11723895-B2 Sphingosine pathway modulating compounds for the treatment of coronavirus infection S1PR1, SPHK1, S1PR4 SPHK1 2/4885SPHK2 7/4885TP53 3935/4885
US-20230158003-A1 Sphingosine Pathway Modulating Compounds For The Treatment Of Coronavirus Infection S1PR1, SPHK1, S1PR4 SPHK1 2/4885SPHK2 7/4885TP53 3935/4885
US-20130245321-A1 SPHINGOSINE KINASE TYPE 1 INHIBITORS SPHK1, SPHK2, S1PR1 SPHK1 1/4885SPHK2 2/4885TP53 2438/4885
US-10945971-B2 Sphingosine kinase type 1 inhibitors and uses thereof SPHK1, SPHK2, S1PR1 SPHK1 1/4885SPHK2 2/4885TP53 4818/4885
US-20100278741-A1 Novel compositions including sphingosine kinase type 1 inhibitors, and processes for using same SPHK1, SPHK2, S1PR1 SPHK1 1/4885SPHK2 2/4885TP53 2691/4885
US-20210177776-A1 SPHINGOSINE KINASE TYPE 1 INHIBITORS AND USES THEREOF SPHK1, SPHK2, S1PR1 SPHK1 1/4885SPHK2 2/4885TP53 4877/4885
US-11737992-B2 Sphingosine kinase Type 1 inhibitors and uses thereof SPHK1, SPHK2, S1PR1 SPHK1 1/4885SPHK2 2/4885TP53 4877/4885
US-20210169860-A1 SPHINGOSINE PATHWAY MODULATING COMPOUNDS FOR THE TREATMENT OF CANCERS S1PR1, SPHK1, S1PR4 SPHK1 2/4885SPHK2 7/4885TP53 1113/4885
US-20240024259-A1 SPHINGOSINE PATHWAY MODULATING COMPOUNDS FOR THE TREATMENT OF CANCERS S1PR1, SPHK1, S1PR4 SPHK1 2/4885SPHK2 7/4885TP53 1113/4885

“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.