SCHEMBL18668583

SCHEMBL18668583

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.46
S1PR3 Q99500 3/20 0.46
S1PR4 O95977 2/20 0.46
S1PR5 Q9H228 2/20 0.46
SPHK2 Q9NRA0 5/20 0.44
SPHK1 Q9NYA1 5/20 0.44
HRH3 Q9Y5N1 1/20 0.42
ALDH1A1 P00352 3/20 0.40
RARB P10826 4/20 0.40
ESR1 P03372 2/20 0.40
ADRA2A P08913 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
TACR2 P21452 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
MEN1 O00255 1/20 0.40
RARA P10276 1/20 0.40
MAPT P10636 1/20 0.40
MTOR P42345 1/20 0.40

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
SCHEMBL18668584 1.00 S1PR1 (0.46) S1PR1S1PR3S1PR4S1PR5SPHK2
SCHEMBL30020662 0.86 ABCB1 (0.47) S1PR1S1PR3S1PR4S1PR5SPHK2
SCHEMBL30020195 0.86 ABCB1 (0.47) S1PR1S1PR3S1PR4S1PR5SPHK2
SCHEMBL2316672 0.82 BDKRB2 (0.54) S1PR5SPHK2ALDH1A1BDKRB2
SCHEMBL15798198 0.82 BDKRB2 (0.54) S1PR5SPHK2ALDH1A1BDKRB2
SCHEMBL15718828 0.73 F2 (0.33) BDKRB2
SCHEMBL23236378 0.73 S1PR1 (0.50) S1PR1S1PR3S1PR4S1PR5SPHK2
SCHEMBL29385583 0.72 BDKRB2 (0.51) HRH3BDKRB2
SCHEMBL28995867 0.70 ABCB1 (0.58) MEN1KMT2ABDKRB2
SCHEMBL30421047 0.70 ABCB1 (0.58) MEN1KMT2ABDKRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11999693-B2 Synthetic sphingolipid-like molecules, drugs, methods of their synthesis and methods of treatment THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-04 US disclosed
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-10995068-B2 Synthetic sphingolipid-like molecules, drugs, methods of their synthesis and methods of treatment THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-05-04 US disclosed
US-20180265464-A1 Synthetic Sphingolipid-Like Molecules, Drugs, Methods of Their Synthesis and Methods of Treatment THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-09-20 US disclosed
EP-3352753-A1 SYNTHETIC SPHINGOLIPID-LIKE MOLECULES, DRUGS, METHODS OF THEIR SYNTHESIS AND METHODS OF TREATMENT The Regents of The University of California (US) 2018-08-01 EP disclosed
WO-2017053990-A1 SYNTHETIC SPHINGOLIPID-LIKE MOLECULES, DRUGS, METHODS OF THEIR SYNTHESIS AND METHODS OF TREATMENT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-03-30 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 (4 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-20230122855-A1 Synthetic Sphingolipid-Like Molecules, Drugs, Methods of Their Synthesis and Methods of Treatment SGMS1, SGMS2, SMPD1 S1PR1 10/4885S1PR3 17/4885S1PR4 18/4885
US-10995068-B2 Synthetic sphingolipid-like molecules, drugs, methods of their synthesis and methods of treatment SGMS1, SGMS2, SMPD1 S1PR1 10/4885S1PR3 17/4885S1PR4 18/4885
US-11999693-B2 Synthetic sphingolipid-like molecules, drugs, methods of their synthesis and methods of treatment SGMS1, SGMS2, SMPD1 S1PR1 10/4885S1PR3 17/4885S1PR4 18/4885
US-20180265464-A1 Synthetic Sphingolipid-Like Molecules, Drugs, Methods of Their Synthesis and Methods of Treatment SGMS1, SGMS2, SMPD1 S1PR1 10/4885S1PR3 17/4885S1PR4 18/4885

“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.