SCHEMBL23519670

SCHEMBL23519670

CCCCCOc1ccc(/C=C/[C@H](O)[C@@H](COC)NCC)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.46
SPHK2 Q9NRA0 1/20 0.46
AHR P35869 1/20 0.44
CYP1A2 P05177 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NR5A1 Q13285 1/20 0.40
PLA2G4B P0C869 1/20 0.40
ASAH2 Q9NR71 2/20 0.40
SLC2A1 P11166 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
LTA4H P09960 1/20 0.39
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL20168979 0.90 SPHK1 (0.56) SPHK1SPHK2AHRNR5A1PLA2G4B
SCHEMBL13896121 0.81 SPHK1 (0.57) SPHK1SPHK2AHRCYP1A2CYP19A1
SCHEMBL20609508 0.81 ASAH2 (0.43) SPHK1SPHK2PLA2G4BASAH2ABCG2
SCHEMBL12450356 0.81 SPHK1 (0.70) SPHK1SPHK2AHRNR5A1ABCG2
SCHEMBL12812128 0.78 SPHK1 (0.51) SPHK1SPHK2AHRCYP1A2CYP19A1
SCHEMBL20905106 0.78 SPHK1 (0.70) SPHK1SPHK2AHRCYP1A2CYP19A1
SCHEMBL12450354 0.77 SPHK1 (0.52) SPHK1SPHK2AHRCYP1A2CYP19A1
SCHEMBL18194576 0.77 SPHK1 (0.52) SPHK1SPHK2AHRCYP1A2CYP19A1
SCHEMBL20168989 0.76 SPHK1 (0.77) SPHK1SPHK2CYP2C9ASAH2
SCHEMBL20651372 0.75 LTA4H (0.46) SPHK1SPHK2AHRNR5A1PLA2G4B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11737992-B2 Sphingosine kinase Type 1 inhibitors and uses thereof ENZO THERAPEUTICS, INC. (US) 2023-08-29 US disclosed
US-20210177776-A1 SPHINGOSINE KINASE TYPE 1 INHIBITORS AND USES THEREOF ENZO THERAPEUTICS, INC. (US) 2021-06-17 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 (2 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-20210177776-A1 SPHINGOSINE KINASE TYPE 1 INHIBITORS AND USES THEREOF SPHK1, SPHK2, S1PR1 SPHK1 1/4885SPHK2 2/4885AHR 4728/4885
US-11737992-B2 Sphingosine kinase Type 1 inhibitors and uses thereof SPHK1, SPHK2, S1PR1 SPHK1 1/4885SPHK2 2/4885AHR 4728/4885

“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.