SCHEMBL20168989

SCHEMBL20168989

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 4/20 0.77
SPHK2 Q9NRA0 3/20 0.77
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYSLTR2 Q9NS75 3/20 0.38
CYSLTR1 Q9Y271 3/20 0.38
TRPM2 O94759 3/20 0.38
ASAH2 Q9NR71 1/20 0.38
TRPA1 O75762 1/20 0.38
PLA2G1B P04054 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
S1PR1 P21453 1/20 0.38
ESR1 P03372 2/20 0.38
ADRA2A P08913 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
TACR2 P21452 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38

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
SCHEMBL13896120 0.88 SPHK1 (0.83) SPHK1SPHK2CYP3A4CYP2D6CYP2C9
SCHEMBL20596127 0.87 SPHK1 (1.00) SPHK1SPHK2CYP3A4CYP2D6CYP2C9
SCHEMBL20592376 0.87 SPHK1 (1.00) SPHK1SPHK2CYP3A4CYP2D6CYP2C9
SCHEMBL120911 0.87 SPHK1 (1.00) SPHK1SPHK2CYP3A4CYP2D6CYP2C9
SCHEMBL18194573 0.87 SPHK1 (1.00) SPHK1SPHK2CYP3A4CYP2D6CYP2C9
SCHEMBL14633002 0.87 SPHK1 (1.00) SPHK1SPHK2CYP3A4CYP2D6CYP2C9
SCHEMBL23519479 0.86 SPHK1 (0.97) SPHK1SPHK2CYP3A4CYP2D6CYP2C9
SCHEMBL20168979 0.85 SPHK1 (0.56) SPHK1SPHK2ASAH2
SCHEMBL20168978 0.83 SPHK1 (0.54) SPHK1SPHK2CYSLTR2CYSLTR1TRPM2
SCHEMBL12813113 0.82 SPHK1 (0.77) SPHK1SPHK2CYP3A4CYP2D6CYP2C9

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 3 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
US-9974758-B2 Sphingosine kinase type 1 inhibitors and uses thereof ENZO THERAPEUTICS, INC. (US) 2018-05-22 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 2/4885CYP3A4 4674/4885
US-11737992-B2 Sphingosine kinase Type 1 inhibitors and uses thereof SPHK1, SPHK2, S1PR1 SPHK1 1/4885SPHK2 2/4885CYP3A4 4674/4885

“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.