SCHEMBL30020195

SCHEMBL30020195

CCCCCCCCc1ccc(CO[C@@H]2C[C@@H](CO)N(C(=O)OC(C)(C)C)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.47
SPHK2 Q9NRA0 5/20 0.40
SPHK1 Q9NYA1 5/20 0.40
S1PR1 P21453 3/20 0.39
S1PR3 Q99500 3/20 0.39
S1PR4 O95977 2/20 0.39
S1PR5 Q9H228 2/20 0.39
GPR119 Q8TDV5 2/20 0.38
SRC P12931 8/20 0.38
HRH3 Q9Y5N1 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
SCHEMBL30020662 1.00 ABCB1 (0.47) ABCB1SPHK2SPHK1S1PR1S1PR3
SCHEMBL18668583 0.86 S1PR1 (0.46) SPHK2SPHK1S1PR1S1PR3S1PR4
SCHEMBL18668584 0.86 S1PR1 (0.46) SPHK2SPHK1S1PR1S1PR3S1PR4
SCHEMBL16397875 0.86 ABCB1 (0.43) ABCB1GPR119SRC
SCHEMBL21996640 0.84 ABCB1 (0.48) ABCB1GPR119SRC
SCHEMBL71548 0.84 ABCB1 (0.58) ABCB1GPR119SRC
SCHEMBL3855580 0.84 ABCB1 (0.58) ABCB1GPR119SRC
SCHEMBL30421047 0.84 ABCB1 (0.58) ABCB1GPR119SRC
SCHEMBL28995867 0.84 ABCB1 (0.58) ABCB1GPR119SRC
SCHEMBL7327353 0.84 ABCB1 (0.58) ABCB1GPR119SRC

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-20230122855-A1 Synthetic Sphingolipid-Like Molecules, Drugs, Methods of Their Synthesis and Methods of Treatment THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-04-20 US disclosed
US-11479530-B2 Synthetic sphingolipid-like molecules, drugs, methods of their synthesis and methods of treatment THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-10-25 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-11479530-B2 Synthetic sphingolipid-like molecules, drugs, methods of their synthesis and methods of treatment SGMS1, SGMS2, SMPD1 ABCB1 2379/4885SPHK2 4/4885SPHK1 6/4885
US-20230122855-A1 Synthetic Sphingolipid-Like Molecules, Drugs, Methods of Their Synthesis and Methods of Treatment SGMS1, SGMS2, SMPD1 ABCB1 2379/4885SPHK2 4/4885SPHK1 6/4885

“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.