SCHEMBL21636792

SCHEMBL21636792

CCCCCCCCCCCCCCC[C@H](O)[C@H](CN)N(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 5/20 0.52
▸ CYP2D6 P10635 2/20 0.48
▸ CETP P11597 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ GMNN O75496 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ THPO P40225 1/20 0.48
▸ MTOR P42345 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ UBE2N P61088 1/20 0.48
▸ SPHK2 Q9NRA0 2/20 0.40
▸ CSNK1E P49674 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39
▸ TRPA1 O75762 1/20 0.39

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
SCHEMBL15057401 0.82 SPHK1 (0.55) SPHK1CYP2D6CETPHTTGMNN
SCHEMBL21636787 0.82 SPHK1 (0.55) SPHK1CYP2D6CETPHTTGMNN
SCHEMBL21428085 0.82 SPHK1 (0.55) SPHK1CYP2D6CETPHTTGMNN
Hydrochloric Acid SCHEMBL7612591 0.81 SPHK1 (0.53) SPHK1CYP2D6CETPHTTGMNN
SCHEMBL1630183 0.80 SPHK1 (0.52) SPHK1CYP2D6CETPHTTGMNN
SCHEMBL21636789 0.78 OPRM1 (0.41) SPHK1CYP2D6CETPHTTGMNN
SCHEMBL21636794 0.78 OPRM1 (0.41) SPHK1CYP2D6CETPHTTGMNN
SCHEMBL8458255 0.77 SPHK1 (0.61) SPHK1CYP2D6CETPHTTGMNN
SCHEMBL360355 0.77 SPHK1 (0.61) SPHK1CYP2D6CETPHTTGMNN
SCHEMBL12482674 0.75 SPHK1 (0.39) SPHK1CYP2D6CETPHTTGMNN

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-20210275473-A1 SPHINGOSINE ANALOGS AND USE THEREOF AGAINST BACTERIAL LUNG INFECTIONS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2021-09-09 — — US disclosed
WO-2020016894-A1 SPHINGOSINE ANALOGS AND USE THEREOF AGAINST BACTERIAL LUNG INFECTIONS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2020-01-23 — — WO 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 (1 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-20210275473-A1 SPHINGOSINE ANALOGS AND USE THEREOF AGAINST BACTERIAL LUNG INFECTIONS SPHK1, S1PR1, S1PR4 SPHK1 1/4885CYP2D6 4585/4885CETP 505/4885

“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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